SCHEMBL5157891

SCHEMBL5157891

COS(=O)(=O)[O-].C[n+]1ccc(C=Cc2ccc(C=O)cc2)c2ccccc21

nearest known ligand 0.61

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 5/20 0.61
RAD52 P43351 3/20 0.56
HTT P42858 4/20 0.56
NPSR1 Q6W5P4 4/20 0.56
RAB9A P51151 4/20 0.56
PKM P14618 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MEN1 O00255 3/20 0.56
NPC1 O15118 3/20 0.56
POLB P06746 3/20 0.56
KMT2A Q03164 3/20 0.56
NSD2 O96028 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
APP P05067 5/20 0.55
MAPT P10636 3/20 0.48
MAPK1 P28482 3/20 0.48
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.40
RECQL P46063 2/20 0.40
ALDH1A1 P00352 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4626049 0.89 CHAT (0.77) CHATRAD52HTTNPSR1RAB9A
SCHEMBL4626052 0.89 CHAT (0.77) CHATRAD52HTTNPSR1RAB9A
SCHEMBL9393622 0.86 CHAT (0.56) CHATRAD52HTTNPSR1RAB9A
SCHEMBL9397403 0.86 CHAT (0.56) CHATRAD52HTTNPSR1RAB9A
SCHEMBL6554349 0.86 CHAT (0.49) CHATRAD52HTTNPSR1RAB9A
SCHEMBL10347865 0.82 CHAT (0.51) CHATRAD52HTTNPSR1RAB9A
SCHEMBL29053037 0.78 RAD52 (0.36) CHATRAD52HTTNPSR1RAB9A
SCHEMBL13766059 0.76 CHAT (0.79) CHATRAD52HTTNPSR1RAB9A
SCHEMBL4609887 0.76 CHAT (0.53) CHATRAD52HTTNPSR1RAB9A
SCHEMBL7049655 0.76 RAB9A (0.54) CHATRAB9AMEN1NPC1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200049-B1 AGENT FOR DYING KERATIN FIBERS HENKEL KGAA (DE) 2007-02-21 EP disclosed
EP-0942328-B1 Photosensitive resin composition and photoresist ink for manufacturing printed wiring boards GOO CHEMICAL CO LTD (JP) 2004-11-10 EP disclosed
US-6475702-B2 WATER SOLUBILITY RESIN GOO CHEMICAL CO., LTD. (JP) 2002-11-05 US disclosed
EP-1200049-A1 AGENT FOR DYING KERATIN FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2002-05-02 EP disclosed
US-20020022194-A1 Photosensitive resin composition and photoresist ink for manufacturing printed wiring boards GOO CHEMICAL CO., LTD. 2002-02-21 US disclosed
US-6322952-B1 REACTION PRODUCT OF A VINYL ALCOHOL POLYMER WITH A STYRYLPYRIDINIUM OR STYRENEQUINOLINIUM COMPOUND OR WITH A HYDROXYALKYL(METH)ACRYLAMIDE; POLYUNSATURATEDD CARBOXYL GROUP CONTAINING PREPOLYMER; PHOTOINITIATOR; WATER GOO CHEMICAL CO., LTD. (JP) 2001-11-27 US disclosed
US-6238841-B1 RESIN OBTAINED BY INTRODUCING A STYRYLPYRIDINIUM, STYRYLQUINOLINIUM OR METHYLOLAMIDE GROUP INTO A POLYVINYL ALCOHOL POLYMER; PREPOLYMER HAVING CARBOXYL GROUP AND AT LEAST TWO ETHYLENICALLY UNSATURATED GROUPS IN MOLECULE; EPOXIDE GOO CHEMICAL CO., LTD. (JP) 2001-05-29 US disclosed
WO-2001010398-A1 AGENT FOR DYING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-02-15 WO disclosed
US-6136507-A WATER-SOLUBLE PHOTOSENSITIVE RESIN OBTAINED BY INTRODUCING STYRYL PYRIDINIUM GROUP INTO A POLYVINYL ALCOHOL POLYMER, SECOND RESIN OBTAINED BY INTRODUCING STYRYL QUINOLINIUM GROUP, THIRD RESIN OBTAINED BY INTRODUCING ALKYLOL ACRYLAMIDE GOO CHEMICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-0942328-A1 Photosensitive resin composition and photoresist ink for manufacturing printed wiring boards Goo Chemical Co., Ltd. (JP) 1999-09-15 EP disclosed
EP-0261981-B1 PHOTOSENSITIVE RESIN COMPOSITION Director-General of the Agency of Industrial Science and Technology (JP) 1990-05-16 EP disclosed
US-4891300-A SCREEN PRINTING PLATES DIRECTOR-GENERAL OF AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY MINISTRY OF INTERNATIONAL TRADE AND INDUSTRY (JP) 1990-01-02 US disclosed
US-4777114-A AQUEOUS EMULSION OF FILM FORMING RESIN PROTECTIVE COLLOID CONTAINING PHOTOSENSITIVE AND HYDROPHOBIC SEGMENTS AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1988-10-11 US disclosed
EP-0261981-A2 Photosensitive resin composition Director-General of the Agency of Industrial Science and Technology (JP) 1988-03-30 EP disclosed