SCHEMBL7898540

SCHEMBL7898540

CCc1cc(C(=O)c2ccc(N)c(CC)c2)ccc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
USP2 O75604 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPT P10636 7/20 0.48
ALDH1A1 P00352 4/20 0.48
GAA P10253 3/20 0.48
HTT P42858 3/20 0.48
LMNA P02545 2/20 0.48
MAPK1 P28482 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 2/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 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
SCHEMBL1560414 0.86 MAPT (0.54) NPC1RAB9ASMN1; SMN2HSD17B10MAPT
SCHEMBL13575532 0.86 MAPK1 (0.45) NPC1RAB9ASMN1; SMN2USP2HSD17B10
SCHEMBL30345464 0.83 NPC1 (0.44) NPC1RAB9ASMN1; SMN2USP2HSD17B10
SCHEMBL4034491 0.81 MAPT (0.59) NPC1RAB9ASMN1; SMN2USP2HSD17B10
SCHEMBL13175559 0.81 PLK1 (0.55) SMN1; SMN2ALDH1A1HTTKDM4EHPGD
SCHEMBL27607184 0.81 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2USP2HSD17B10
SCHEMBL10914230 0.80 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2USP2HSD17B10
SCHEMBL27840194 0.80 ALDH1A1 (0.41) NPC1RAB9ASMN1; SMN2USP2HSD17B10
SCHEMBL28194883 0.77 ALDH1A1 (0.39) NPC1RAB9ASMN1; SMN2USP2HSD17B10
SCHEMBL9763047 0.77 HSP90AA1 (0.65) ALDH1A1HTTPOLBPTGS1PTGS2

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-6329050-B1 SUBSTRATE WITH ADHESIVE LAYER FOR ELECTRONICS WITH POLYIMIDES TOMOEGAWA PAPER CO., LTD. (JP) 2001-12-11 US disclosed