SCHEMBL9650239

SCHEMBL9650239

O=C(NCl)C1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
EPHX1 P07099 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
TSHR P16473 3/20 0.47
MAPK1 P28482 1/20 0.47
HSD11B1 P28845 2/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
PTPN1 P18031 1/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
NAAA Q02083 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL11862833 0.97
SCHEMBL6625982 0.86
SCHEMBL9650224 0.86 HPGD (0.43) HDAC8HDAC6EPHX1MAPTHTT
SCHEMBL12323193 0.78 HDAC8 (0.67) HDAC8HDAC6EPHX1CES2CES1
SCHEMBL7056987 0.78 HDAC8 (0.67) HDAC8HDAC6EPHX1CES2CES1
Hydrochloric Acid SCHEMBL16166996 0.77 HDAC8 (0.58) HDAC8HDAC6EPHX1CES2CES1
SCHEMBL28376355 0.76 HDAC8 (0.64) HDAC8HDAC6EPHX1CES2CES1
SCHEMBL3077769 0.76 HDAC6 (1.00) HDAC8HDAC6EPHX1CES2CES1
SCHEMBL5140992 0.76 HDAC6 (1.00) HDAC8HDAC6EPHX1CES2CES1
SCHEMBL18513474 0.76 HDAC6 (1.00) HDAC8HDAC6EPHX1CES2CES1

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
US-5162575-A Reacting organic base with halogenated amide in solvent OLIN CORPORATION (US) 1992-11-10 US disclosed
WO-1992017442-A1 PROCESS FOR THE PREPARATION OF ISOCYANATES AND CARBAMATES USING A SILVER SALT PROMOTED HOFMANN REARRANGEMENT OLIN CORPORATION (US) 1992-10-15 WO disclosed
EP-0458197-A2 Use of N-haloamides as photoinitiators for free-radical polymerizations MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1991-11-27 EP disclosed
US-4368156-A USING POSITIVE HALOGEN REAGENT ELI LILLY AND COMPANY (US) 1983-01-11 US disclosed
EP-0060120-A1 Process for preparing 4-haloazetidin-2-ones ELI LILLY AND COMPANY (US) 1982-09-15 EP disclosed
EP-0011370-B1 PROCESS FOR PREPARING 2-CHLOROSULFINYL-AZETIDINONES ELI LILLY AND COMPANY (US) 1982-04-28 EP disclosed
US-4289695-A REACTION OF A PHENICILLIN WITH AN N-CHLORO HALOGENATING AGENT IN PRESENCE OF A CROSSLINKED POLYVINYLPYRIDINE ELI LILLY AND COMPANY (US) 1981-09-15 US disclosed
US-4198348-A Process for the preparation of amines SNIA VISCOSA SOCIETA NAZIONALE INDUSTRIA APPLICAZIONI VISCOSA S.P.A. (IT) 1980-04-15 US disclosed
US-4165316-A Process for preparing sulfinyl chlorides from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1979-08-21 US disclosed
US-4165315-A CHLORINATION WITH AN N-CHLORO HALOGENATING AGENT ELI LILLY AND COMPANY (US) 1979-08-21 US disclosed
US-4159272-A Process for 2-chlorosulfinylazetidin-4-ones ELI LILLY AND COMPANY (US) 1979-06-26 US disclosed
US-4081440-A Sulfinyl halides and their preparation from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1978-03-28 US disclosed
US-4075203-A Process for preparing a 3-exomethylenecepham sulfoxide from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1978-02-21 US disclosed
US-3932559-A AIR BAGS, TIRES, HOSE UNIROYAL INC. (US) 1976-01-13 US disclosed