SCHEMBL23964784

SCHEMBL23964784

C=CN(C)CC1=Nc2sc3c(c2C(=C)N1c1ccc(F)cc1C)CCN(C)C3

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 5/20 0.36
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL22213296 0.64 KMT2A (0.54) MKNK1KDM4EMEN1ALDH1A1GAA
SCHEMBL23964749 0.59 KDM4E (0.36) MKNK1KDM4EMEN1ALDH1A1GLA
SCHEMBL23964783 0.57 MEN1 (0.50) KDM4EMEN1ALDH1A1GLAGAA
SCHEMBL14922277 0.52 ALDH1A1 (0.67) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL18035002 0.51 MCHR1 (0.55) —
SCHEMBL4142914 0.51 DRD2 (0.45) MEN1ALDH1A1GAAMAPTKMT2A
SCHEMBL11005182 0.50 KMT2A (0.41) KDM4EMEN1ALDH1A1GLAGAA
SCHEMBL12489583 0.50 OGA (0.51) KMT2A
SCHEMBL10515481 0.50 KDM4E (0.47) KDM4EMEN1ALDH1A1GLAGAA
SCHEMBL16624342 0.49 CHRM2 (0.59) MEN1ALDH1A1GAAKMT2A

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-3680243-B1 PENTACYCLIC COMPOUND EISAI R&D MAN CO LTD (JP) 2021-10-27 — — EP disclosed
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