SCHEMBL26389136

SCHEMBL26389136

O=c1[nH]c(COc2cccc(-c3nc4ccccc4c(=O)[nH]3)c2)nc2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.72
▸ NPC1 O15118 5/20 0.58
▸ TNKS O95271 3/20 0.58
▸ PARP1 P09874 3/20 0.58
▸ TNKS2 Q9H2K2 3/20 0.58
▸ GUSB P08236 7/20 0.55
▸ CYP1B1 Q16678 3/20 0.53
▸ CYP1A1 P04798 2/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ CASP3 P42574 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52
▸ SENP6 Q9GZR1 1/20 0.52
▸ TOP2A P11388 1/20 0.52
▸ TOP2B Q02880 1/20 0.52

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
SCHEMBL29784145 0.81 GUSB (0.73) RAB9ANPC1TNKSPARP1TNKS2
SCHEMBL874228 0.81 GUSB (0.73) RAB9ANPC1TNKSPARP1TNKS2
SCHEMBL17710715 0.81 RAB9A (0.60) RAB9ANPC1
SCHEMBL8620410 0.80 TNKS (0.83) RAB9ANPC1TNKSPARP1TNKS2
SCHEMBL11290144 0.78 TNKS (0.61) RAB9ANPC1TNKSPARP1TNKS2
SCHEMBL16768506 0.78 TNKS (0.78) RAB9ANPC1TNKSPARP1TNKS2
SCHEMBL259479 0.77 ALDH1A1 (0.64) RAB9ANPC1TNKSPARP1TNKS2
SCHEMBL873906 0.77 TNKS (0.71) RAB9ANPC1TNKSPARP1TNKS2
SCHEMBL17904243 0.77 TNKS (0.71) RAB9ANPC1TNKSPARP1TNKS2
SCHEMBL26120225 0.76 CDK4 (0.56) RAB9ANPC1TNKSPARP1TNKS2

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
WO-2023187697-A1 PROCESS FOR THE PREPARATION OF BELUMOSUDIL MESYLATE AND ITS CRYSTALLINE FORM GLENMARK LIFE SCIENCES LIMITED (IN) 2023-10-05 — — WO disclosed
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