SCHEMBL9357012

SCHEMBL9357012

Cc1ccc(C(=O)N(C#N)N(C(=O)c2cccc(C)c2)C(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ABCB1 P08183 2/20 0.42
HSD17B1 P14061 2/20 0.40
HSD17B2 P37059 2/20 0.40
PARP1 P09874 1/20 0.39
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
KCNK3 O14649 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL9357454 0.89 CES2 (0.45) HPGDCYP3A4POLBMAPTSMN1; SMN2
SCHEMBL9356846 0.89 HPGD (0.45) HPGDTDP1ABCB1HSD17B1HSD17B2
SCHEMBL9357446 0.89 THRB (0.42) HPGDABCB1PARP1CYP2C19POLB
SCHEMBL9357027 0.89 KMT2A (0.40) HPGDTDP1PARP1CYP2C19CYP3A4
SCHEMBL9357063 0.88 ABCB1 (0.40) ABCB1CYP2C19CYP3A4CYP2C9
SCHEMBL9854889 0.88 KCNK3 (0.45) HPGDTDP1ABCB1PARP1CYP2C19
SCHEMBL9360809 0.87 ABCB1 (0.46) HPGDTDP1ABCB1HSD17B1HSD17B2
SCHEMBL9357284 0.87 BCL2 (0.38) HPGDTDP1ABCB1HSD17B1HSD17B2
SCHEMBL9356941 0.83 HPGD (0.40) HPGDTDP1ABCB1PARP1POLB
SCHEMBL9356770 0.82 CNR1 (0.38) CYP2C19CYP3A4CYP2C9TP53MAPT

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
EP-0461809-B1 Dibenzoylalkylcyanohydrazines ROHM & HAAS (US) 1994-12-07 EP claimed
EP-0461809-A1 Dibenzoylalkylcyanohydrazines ROHM AND HAAS COMPANY (US) 1991-12-18 EP claimed