SCHEMBL8450486

SCHEMBL8450486

O=Cc1ccccc1/C=C/c1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.64
RAB9A P51151 4/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
ATM Q13315 1/20 0.64
TDP1 Q9NUW8 2/20 0.52
LMNA P02545 1/20 0.52
THRB P10828 1/20 0.52
BLM P54132 1/20 0.52
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
NR1H2 P55055 1/20 0.48
TRIM24 O15164 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
GRM4 Q14833 1/20 0.46
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
BRD4 O60885 1/20 0.42

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
SCHEMBL8783079 0.80 NPC1 (0.64) NPC1RAB9AMEN1KMT2AATM
SCHEMBL3257572 0.80 NPC1 (0.64) NPC1RAB9AMEN1KMT2AATM
SCHEMBL9394256 0.80 NPC1 (1.00) NPC1RAB9AMEN1KMT2AATM
SCHEMBL229329 0.80 NPC1 (1.00) NPC1RAB9AMEN1KMT2AATM
SCHEMBL229328 0.80 NPC1 (1.00) NPC1RAB9AMEN1KMT2AATM
SCHEMBL31560044 0.80 NPC1 (1.00) NPC1RAB9AMEN1KMT2AATM
SCHEMBL28755153 0.78 NPC1 (0.61) NPC1RAB9AMEN1KMT2AATM
2-Pyridinecarboxaldehyde SCHEMBL29396810 0.78
2-Pyridinecarboxaldehyde SCHEMBL55278 0.78
2-Pyridinecarboxaldehyde SCHEMBL6943571 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5990269-A FOR USE AS A PHOTORESIST IN THE MANUFACTURE OF BLACK MATRICES AS ON COLOR CRTS BASF AKTIENGESELLSCHAFT (DE) 1999-11-23 US disclosed
US-5725978-A SUBSTITUTED DIACETONEACRYLAMIDE POLYMER, VINYLPYRROLIDONE POLYMER BASF AKTIENGESELLSCHAFT (DE) 1998-03-10 US disclosed
US-4272620-A Polyvinyl alcohol-styrylpyridinium photosensitive resins and method for manufacture thereof AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1981-06-09 US disclosed