SCHEMBL27733014

SCHEMBL27733014

Cc1cc(-c2cccs2)ncn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
GAA P10253 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
POLB P06746 1/20 0.50
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 7/20 0.47
HPGD P15428 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GLA P06280 1/20 0.43
HSD17B10 Q99714 4/20 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
SCHEMBL1781579 0.86 KDM4E (0.56) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL12608099 0.79 KDM4E (0.48) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL27732798 0.78 GAA (0.35) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL1445236 0.78 KDM4E (0.47) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL1445183 0.78 MIF (0.52) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL4828368 0.78 KDM4E (0.47) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL27732880 0.76 ASIC3 (0.55) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL13966932 0.75 KDM4E (0.42) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL28634084 0.74 MEN1 (0.62) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL25547161 0.74 NPC1 (0.61) MEN1KMT2AMAPTSMN1; SMN2GAA

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
CN-101257948-A Pyrimidine-fused diazepine derivatives and indole-fused pteridines ATTENUON LLC (US) 2008-09-03 CN disclosed