SCHEMBL22912287

SCHEMBL22912287

Cc1cc(-c2cc(F)c(=O)n(Cc3cccc4c3OCO4)c2)nc(SCCC(OCc2ccccc2F)c2ccccc2)n1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ GNRHR P30968 2/20 0.32
▸ PDE2A O00408 1/20 0.32
▸ TP53 P04637 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30
▸ VCP P55072 1/20 0.30

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
SCHEMBL23897443 0.90 EGFR (0.38) KDM4EALDH1A1CYP1A2POLBCYP3A4
SCHEMBL30526072 0.87 GNRHR (0.33) GNRHRPDE2ATP53
SCHEMBL19806125 0.87 GNRHR (0.33) GNRHRPDE2ATP53
SCHEMBL19806024 0.87 EGFR (0.35) KDM4EALDH1A1CYP1A2POLBCYP3A4
SCHEMBL22912304 0.83 HSD17B10 (0.35) ALDH1A1VCP
SCHEMBL22912303 0.82 VCP (0.33) GNRHRVCP
SCHEMBL19806106 0.82 VCP (0.32) VCP
SCHEMBL22912281 0.81 EGFR (0.36) KDM4EALDH1A1CYP1A2POLBCYP3A4
SCHEMBL22912269 0.80 PFKFB3 (0.32) VCP
SCHEMBL21019945 0.80 BRD4 (0.32) VCP

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
EP-3484854-B1 APOPTOSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-01-20 — — EP disclosed
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