SCHEMBL11013752

SCHEMBL11013752

Cc1nn(-c2ccc(N)cc2)nc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.53
KMT2A Q03164 12/20 0.53
RAB9A P51151 11/20 0.53
MEN1 O00255 11/20 0.53
MAPT P10636 9/20 0.53
KDM4E B2RXH2 7/20 0.53
ALDH1A1 P00352 6/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
GAA P10253 3/20 0.53
HPGD P15428 2/20 0.53
TP53 P04637 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
POLB P06746 1/20 0.53
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
ATM Q13315 3/20 0.44
MCL1 Q07820 1/20 0.44

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
SCHEMBL16471213 0.76 KDM4E (0.39) NPC1KMT2ARAB9AMEN1MAPT
SCHEMBL8300771 0.76 NPC1 (0.55) NPC1KMT2ARAB9AMEN1KDM4E
SCHEMBL416916 0.75 KDM4E (0.61) NPC1KMT2ARAB9AMEN1MAPT
SCHEMBL8995917 0.74 KDM4E (0.67) NPC1KMT2ARAB9AMEN1MAPT
SCHEMBL10759780 0.74 NPC1 (0.81) NPC1KMT2ARAB9AMEN1MAPT
SCHEMBL10772265 0.74 NPC1 (0.81) NPC1KMT2ARAB9AMEN1MAPT
SCHEMBL17678276 0.74 NPC1 (0.43) NPC1KMT2ARAB9AMEN1MAPT
SCHEMBL720834 0.74 NPC1 (0.43) NPC1KMT2ARAB9AMEN1MAPT
Ammonia Solution, Strong SCHEMBL3507660 0.73 KDM4E (0.58) NPC1KMT2ARAB9AMEN1MAPT
SCHEMBL7047234 0.71 MEN1 (0.79) NPC1KMT2ARAB9AMEN1MAPT

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-0134471-A1 Azo dyestuffs and liquid-crystal materials containing these dyestuffs BASF Aktiengesellschaft (DE) 1985-03-20 EP disclosed