SCHEMBL18773963

SCHEMBL18773963

Cc1cccc(C(=O)N(C)Cc2cccc(Cl)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
HSP90AA1 P07900 1/20 0.56
HSD17B2 P37059 6/20 0.55
HSD17B1 P14061 5/20 0.55
RIPK1 Q13546 1/20 0.54
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LIMK2 P53671 2/20 0.49
GRM5 P41594 1/20 0.48
LIMK1 P53667 1/20 0.47
AOC3 Q16853 1/20 0.47
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
TP53 P04637 1/20 0.46
GPR17 Q13304 1/20 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
SCHEMBL18773897 0.90 KMT2A (0.69) MEN1KMT2AHSP90AA1HSD17B2HSD17B1
SCHEMBL15676742 0.86 MEN1 (0.60) MEN1KMT2AHSP90AA1HSD17B2HSD17B1
SCHEMBL2228587 0.85 KMT2A (0.82) MEN1KMT2AHSD17B2HSD17B1GAA
SCHEMBL1196932 0.85 MEN1 (0.58) MEN1KMT2AHSP90AA1HSD17B2HSD17B1
SCHEMBL5593762 0.84 RIPK1 (0.50) MEN1KMT2AHSP90AA1HSD17B2HSD17B1
SCHEMBL5644480 0.84 KMT2A (0.79) MEN1KMT2AHSP90AA1HSD17B2HSD17B1
SCHEMBL10268038 0.84 MEN1 (0.57) MEN1KMT2AHSD17B2HSD17B1RIPK1
SCHEMBL1690715 0.83 RIPK1 (0.57) MEN1KMT2AHSD17B2HSD17B1RIPK1
SCHEMBL18773850 0.82 KMT2A (0.67) MEN1KMT2AHSP90AA1HSD17B2HSD17B1
SCHEMBL10323268 0.82 MEN1 (0.51) MEN1KMT2AHSP90AA1HSD17B2HSD17B1

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-1773786-B1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-04-26 EP disclosed