SCHEMBL31191602

SCHEMBL31191602

Nc1ccccc1Nc1ccc2[nH]c(=O)sc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.53
▸ SYK P43405 1/20 0.49
▸ MAPK14 Q16539 6/20 0.47
▸ MAPT P10636 6/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ APP P05067 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ SNCA P37840 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MKNK1 Q9BUB5 1/20 0.45
▸ MAPK13 O15264 3/20 0.45
▸ MAPK12 P53778 3/20 0.45
▸ MAPK11 Q15759 3/20 0.45
▸ GAA P10253 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ MEN1 O00255 1/20 0.45

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
SCHEMBL24897524 1.00 KIF11 (0.53) KIF11SYKMAPK14MAPTKDM4E
SCHEMBL30832785 0.78 BCL6 (0.51) MAPK14MAPTKDM4ETP53SMN1; SMN2
SCHEMBL20773220 0.78 BCL6 (0.51) MAPK14MAPTKDM4ETP53SMN1; SMN2
SCHEMBL24897475 0.73 SYK (0.50) SYKMAPK14MAPTKDM4ETP53
SCHEMBL10338441 0.72 PDE3B (0.60) KIF11SYKMAPTKDM4ETP53
SCHEMBL12361999 0.72 PDE3B (0.54) KIF11SYKMAPTTP53SMN1; SMN2
SCHEMBL20772989 0.71 BRD4 (0.49) MAPK14MAPTKDM4ETP53SMN1; SMN2
SCHEMBL30832794 0.71 BRD4 (0.49) MAPK14MAPTKDM4ETP53SMN1; SMN2
SCHEMBL4607773 0.70 MAPT (0.86) MAPK14MAPTKDM4ETP53SMN1; SMN2
SCHEMBL18188273 0.70 MKNK1 (0.47) KIF11SYKMAPTTP53MKNK1

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-4470618-A2 HETEROCYCLIC COMPOUNDS FOR MEDICAL TREATMENT C4 Therapeutics, Inc. (US) 2024-12-04 — — EP disclosed
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