SCHEMBL7019743

SCHEMBL7019743

COc1nc(NC(=O)[C@H](C)c2ccccc2)c(C#N)c(-c2ccccc2F)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 1/20 0.41
SQOR Q9Y6N5 4/20 0.38
TACR3 P29371 1/20 0.38
POLB P06746 1/20 0.37
FAAH O00519 1/20 0.37
GAA P10253 1/20 0.36
ADORA1 P30542 2/20 0.36
ADORA2A P29274 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ADORA2B P29275 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GBA1 P04062 1/20 0.35

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
SCHEMBL7019744 1.00 ALDH1A1 (0.41) ALDH1A1MAPK1HSD17B10SQORTACR3
SCHEMBL7018759 0.91 ALDH1A1 (0.41) ALDH1A1MAPK1HSD17B10SQORTACR3
SCHEMBL7022639 0.90 ALDH1A1 (0.43) ALDH1A1MAPK1HSD17B10SQORADORA1
SCHEMBL7015455 0.84 ALDH1A1 (0.46) ALDH1A1MAPK1HSD17B10SQORGAA
SCHEMBL7011446 0.83 ALDH1A1 (0.44) ALDH1A1MAPK1HSD17B10SQORGAA
SCHEMBL7013301 0.82 ALDH1A1 (0.43) ALDH1A1MAPK1HSD17B10SQORGAA
SCHEMBL7021596 0.82 ALDH1A1 (0.43) ALDH1A1MAPK1HSD17B10SQORGAA
SCHEMBL7021434 0.82 ALDH1A1 (0.43) ALDH1A1MAPK1HSD17B10SQORGAA
SCHEMBL7018816 0.82 ALDH1A1 (0.48) ALDH1A1MAPK1HSD17B10SQORGAA
SCHEMBL7019913 0.81 MAPK8 (0.45) ALDH1A1MAPK1HSD17B10SQORPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1302463-A1 MEDICINE COMPRISING DICYANOPYRIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-04-16 EP disclosed