SCHEMBL11250952

SCHEMBL11250952

Cc1cccc(-c2nn(-c3ccccc3)cc2CC#N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
HSD17B10 Q99714 3/20 0.51
MAPK1 P28482 3/20 0.51
TSHR P16473 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 6/20 0.47
MAPT P10636 6/20 0.47
NPSR1 Q6W5P4 4/20 0.47
POLB P06746 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
HPGD P15428 2/20 0.47
USP2 O75604 1/20 0.47
GAA P10253 2/20 0.46

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
SCHEMBL11240095 0.87 KDM4E (0.60) MEN1KMT2ANPC1RAB9AHSD17B10
SCHEMBL11249486 0.86 KMT2A (0.69) MEN1KMT2ANPC1RAB9AHSD17B10
SCHEMBL11246134 0.85 KDM4E (0.56) MEN1KMT2ANPC1RAB9AHSD17B10
SCHEMBL11258152 0.83 RAB9A (0.73) MEN1KMT2ANPC1RAB9AHSD17B10
SCHEMBL11262052 0.82 ALDH1A1 (0.46) MEN1KMT2ANPC1RAB9AHSD17B10
SCHEMBL11247644 0.81 CA1 (0.53) MEN1KMT2ANPC1RAB9AHSD17B10
SCHEMBL11254175 0.80 KDM4E (0.76) MEN1KMT2ANPC1RAB9AHSD17B10
SCHEMBL11540123 0.80 KMT2A (0.45) MEN1KMT2ANPC1RAB9AHSD17B10
SCHEMBL11298073 0.80 KDM4E (0.73) MEN1KMT2ANPC1RAB9AHSD17B10
SCHEMBL11728680 0.80 KDM4E (0.50) MEN1KMT2ANPC1RAB9AHSD17B10

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
US-4325962-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIDYRETICS BYK-GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-04-20 US disclosed
US-4146721-A ANALGESICS, ANTIINFLAMMATORY AGENTS AND ANTIPYRETICS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1979-03-27 US disclosed