SCHEMBL8567628

SCHEMBL8567628

Nc1ccccc1Nc1nc2ccccc2o1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.67
RAB9A P51151 10/20 0.67
SMN1; SMN2 Q16637 6/20 0.60
GAA P10253 5/20 0.60
PKM P14618 4/20 0.60
NPSR1 Q6W5P4 2/20 0.60
ALDH1A1 P00352 2/20 0.60
MAPT P10636 5/20 0.53
KDM1A O60341 1/20 0.50
LMNA P02545 2/20 0.49
TP53 P04637 2/20 0.49
ALOX15 P16050 1/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
POLB P06746 1/20 0.48
CASP6 P55212 1/20 0.48
IMPDH2 P12268 1/20 0.47
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL25243870 0.82 KCNH2 (0.57) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL25788813 0.82 RAB9A (0.58) NPC1RAB9ASMN1; SMN2GAAPKM
SCHEMBL25245167 0.82 NPC1 (0.54) NPC1RAB9ASMN1; SMN2GAAPKM
SCHEMBL15022003 0.82 RAB9A (0.78) NPC1RAB9ASMN1; SMN2GAAPKM
SCHEMBL22285903 0.80 NPC1 (0.67) NPC1RAB9ASMN1; SMN2GAAPKM
SCHEMBL1853314 0.80 NPC1 (0.67) NPC1RAB9ASMN1; SMN2GAAPKM
SCHEMBL3957488 0.80 NPC1 (0.67) NPC1RAB9ASMN1; SMN2GAAPKM
SCHEMBL29972698 0.77 NPC1 (0.75) NPC1RAB9ASMN1; SMN2GAAPKM
SCHEMBL27886383 0.77 RAB9A (0.65) NPC1RAB9ASMN1; SMN2GAAPKM
SCHEMBL1699100 0.77 NPC1 (0.75) NPC1RAB9ASMN1; SMN2GAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998024776-A1 PREPARATION OF AN AMINOARYLAMINOARAZOLE THE DOW CHEMICAL COMPANY (US) 1998-06-11 WO disclosed
US-5739344-A Preparation of an aminoarylaminoarazole THE DOW CHEMICAL COMPANY (US) 1998-04-14 US disclosed