SCHEMBL22912258

SCHEMBL22912258

Cc1cc(-c2cc(F)c(=O)n(Cc3ccc4c(c3)OCO4)c2)nc(SCCCC(=O)N(C(C)(C)C)C(C)(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.41
▸ TP53 P04637 4/20 0.40
▸ RXFP1 Q9HBX9 4/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ HPGD P15428 5/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ EGFR P00533 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ GAA P10253 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 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
SCHEMBL19806025 0.86 SDHB (0.43) MAPTTP53SMN1; SMN2MAPK10HIF1A
SCHEMBL21019760 0.78 SDHB (0.40) MAPTTP53ALDH1A1KDM4ESMN1; SMN2
SCHEMBL21019951 0.76 PDE5A (0.43) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL19805950 0.76 MAPK10 (0.42) MAPTALDH1A1HPGDKDM4ELMNA
SCHEMBL26312785 0.76 SDHB (0.41) ALDH1A1MAPK10HIF1A
SCHEMBL23897443 0.74 EGFR (0.38) MAPTTP53RXFP1ALDH1A1HPGD
SCHEMBL21020127 0.74 SDHB (0.40) MAPTTP53ALDH1A1LMNASMN1; SMN2
SCHEMBL22912251 0.74 EGFR (0.37) TP53RXFP1ALDH1A1HPGDKDM4E
SCHEMBL19805630 0.73 EGFR (0.35) ALDH1A1HPGDKDM4ENPSR1LMNA
SCHEMBL21019476 0.73 SDHB (0.39) MAPTTP53ALDH1A1SMN1; SMN2EGFR

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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