SCHEMBL8519976

SCHEMBL8519976

C=CCN(CC=C)C(=Cc1ccccc1)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.47
NPC1 O15118 9/20 0.47
PKM P14618 2/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 6/20 0.41
LMNA P02545 4/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 8/20 0.40
KMT2A Q03164 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
L3MBTL1 Q9Y468 5/20 0.39
GAA P10253 3/20 0.39
NAPRT Q6XQN6 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
CYP1A2 P05177 2/20 0.38
MEN1 O00255 4/20 0.38
HTT P42858 2/20 0.38
MAPK1 P28482 1/20 0.38
EGFR P00533 1/20 0.38
IGF1R P08069 1/20 0.38

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
SCHEMBL9803850 0.82 NPC1 (0.49) RAB9ANPC1PKMPOLBMAPT
SCHEMBL4940758 0.79 CYP1A2 (0.45) POLBMAPTLMNAKDM4EALDH1A1
SCHEMBL9715375 0.78 NPC1 (0.46) RAB9ANPC1PKMPOLBMAPT
SCHEMBL4255052 0.76 NPC1 (0.53) RAB9ANPC1PKMPOLBMAPT
SCHEMBL8520463 0.76 KDM4E (0.49) RAB9ANPC1PKMMAPTLMNA
SCHEMBL27883073 0.75 CES2 (0.48) RAB9ANPC1PKMPOLBMAPT
SCHEMBL11128987 0.72 LMNA (0.45) RAB9ANPC1PKMPOLBMAPT
SCHEMBL17005191 0.72 L3MBTL1 (0.45) RAB9ANPC1PKMMAPTLMNA
SCHEMBL9811808 0.71 ALDH1A1 (0.47) POLBLMNAKDM4EALDH1A1KMT2A
SCHEMBL3257574 0.71 RAB9A (0.54) RAB9ANPC1PKMPOLBMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11171909-A None JP disclosed
JP-11171908-A None JP disclosed
JP-H11171908-A PHOTOPOLYMERIZABLE COMPOSITION AND SHEET FOR RECORDING BROTHER IND LTD 1999-06-29 JP disclosed
JP-H11171909-A PHOTOPOLYMERIZABLE COMPOSITION AND SHEET FOR RECORDING BROTHER IND LTD 1999-06-29 JP disclosed
US-5840859-A (Aminostyryl)pyridinium compounds for radiolabelling cell membranes RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1998-11-24 US disclosed
WO-1997002246-A1 (AMINOSTYRYL)PYRIDINIUM COMPOUNDS FOR RADIOLABELLING CELL MEMBRANES RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1997-01-23 WO disclosed