SCHEMBL9356789

SCHEMBL9356789

Cc1cccc(C(=O)N(N(C#N)C(=O)c2cccc(C)c2Cl)C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ABCB1 P08183 3/20 0.38
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KCNK3 O14649 2/20 0.36
KCNK9 Q9NPC2 2/20 0.36
POLB P06746 1/20 0.35
THRB P10828 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL9356842 0.92 ABCB1 (0.45) ABCB1
SCHEMBL9357142 0.91 LMNA (0.41) HPGDTDP1ABCB1NPC1LMNA
SCHEMBL9360864 0.90 CTSS (0.35) ABCB1POLB
SCHEMBL9356941 0.89 HPGD (0.40) HPGDTDP1ABCB1NPC1RAB9A
SCHEMBL9357187 0.88 ABCB1 (0.35) ABCB1THRBRXFP1
SCHEMBL9356888 0.87 KCNK3 (0.41) HPGDTDP1ABCB1NPC1LMNA
SCHEMBL9356783 0.87 HPGD (0.39) HPGDTDP1ABCB1NPC1RAB9A
SCHEMBL9854889 0.84 KCNK3 (0.45) HPGDTDP1ABCB1NPC1LMNA
SCHEMBL9356802 0.83 ABCB1 (0.40) ABCB1
SCHEMBL9356794 0.82 ABCB1 (0.42) HPGDABCB1SMN1; SMN2KCNK3KCNK9

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