SCHEMBL9356985

SCHEMBL9356985

Cc1cccc(C(=O)N(N(C#N)C(=O)c2cccc(Br)c2C)C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ABCB1 P08183 2/20 0.38
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
POLB P06746 1/20 0.35
PARP1 P09874 1/20 0.34
KCNK3 O14649 4/20 0.33
KCNK9 Q9NPC2 3/20 0.33
RAB9A P51151 2/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL9357246 0.90 POLB (0.35) HPGDPOLBRAB9ASMN1; SMN2NPC1
SCHEMBL9356941 0.89 HPGD (0.40) HPGDTDP1ABCB1HDAC8HDAC6
SCHEMBL9356940 0.87 ESR1 (0.40) HPGDTDP1ABCB1POLBPARP1
SCHEMBL9356888 0.87 KCNK3 (0.41) HPGDTDP1ABCB1KCNK3KCNK9
SCHEMBL9356783 0.87 HPGD (0.39) HPGDTDP1ABCB1HDAC8HDAC6
SCHEMBL9357291 0.85 ABCB1 (0.50) ABCB1KCNK3KCNK9RAB9ANPC1
SCHEMBL9357112 0.82 HPGD (0.39) HPGDTDP1ABCB1HDAC8HDAC6
SCHEMBL9357142 0.82 LMNA (0.41) HPGDTDP1ABCB1KCNK3KCNK9
SCHEMBL9356789 0.82 HPGD (0.39) HPGDTDP1ABCB1POLBKCNK3
SCHEMBL9357012 0.81 HPGD (0.43) HPGDTDP1ABCB1HDAC8HDAC6

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