SCHEMBL9495360

SCHEMBL9495360

N#Cc1cccc(NN2C=C(C(=O)O)C=CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 2/20 0.41
FAAH O00519 1/20 0.40
GRIN2B Q13224 2/20 0.39
MCL1 Q07820 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.39
CCR3 P51677 1/20 0.39
KCNA5 P22460 1/20 0.39
HIF1A Q16665 1/20 0.38
GRM4 Q14833 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 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
SCHEMBL5248995 0.89 KMT2A (0.41) HTTALDH1A1MAPTKMT2AMEN1
SCHEMBL9494592 0.82 NPC1 (0.43) HTTALDH1A1MAPTKMT2AMEN1
SCHEMBL9495346 0.81 TDP1 (0.35) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL9494505 0.79 KMT2A (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL9497255 0.78 MAPT (0.46) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL9495088 0.77 RAB9A (0.47) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL9498592 0.74 NPC1 (0.41) HTTALDH1A1MAPTKMT2AMEN1
SCHEMBL9494243 0.72
SCHEMBL5257296 0.71 MEN1 (0.42) HTTALDH1A1MAPTKMT2AMEN1
SCHEMBL9495354 0.71 HTT (0.44) HTTALDH1A1MAPTKMT2AMEN1

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
US-5264437-A Antiinflammatory agents, immunosuppressants or antiallergens SYNTEX (U.S.A.) INC. (US) 1993-11-23 US disclosed