SCHEMBL31363646

SCHEMBL31363646

COC(=O)c1cc(I)cc2[nH]cnc12

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.39
CD38 P28907 2/20 0.36
AXL P30530 1/20 0.36
NR4A2 P43354 4/20 0.36
MAP2K1 Q02750 1/20 0.36
CREBBP Q92793 1/20 0.36

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
SCHEMBL29397449 0.82 NR4A2 (0.44) PARP1CD38AXLNR4A2MAP2K1
SCHEMBL18225293 0.82 NR4A2 (0.48) NR4A2
SCHEMBL22443320 0.82 NR4A2 (0.44) PARP1NR4A2
SCHEMBL22470597 0.82 NR4A2 (0.44) PARP1CD38AXLNR4A2MAP2K1
SCHEMBL15808776 0.82 PARP1 (0.42) PARP1CD38
SCHEMBL667272 0.81 BCL2 (0.47) PARP1AXLMAP2K1
SCHEMBL12999419 0.77 CYP3A4 (0.46)
SCHEMBL2720949 0.76 KMT2A (0.42) CREBBP
SCHEMBL536589 0.75 PARP1 (0.64) PARP1NR4A2CREBBP
SCHEMBL27185965 0.75 JAK2 (0.43) PARP1CD38AXLNR4A2MAP2K1

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-2025059074-A1 BICYCLIC COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2025-03-20 WO disclosed