SCHEMBL22270601

SCHEMBL22270601

CCCc1ccc(CC(Nc2ccc(-c3nccnc3NC(C)c3ccc(C)cc3C)cc2)=C2CCC2)cc1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ RORC P51449 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
SCHEMBL22270887 0.82 KDM4E (0.40) KDM4EALDH1A1GAAHPGDL3MBTL1
SCHEMBL22270563 0.77 WNT3A (0.39) KDM4ERORC
SCHEMBL22270591 0.76 PSMB5 (0.33) KDM4EALDH1A1
SCHEMBL22270880 0.75 LMNA (0.37) ALDH1A1
SCHEMBL19205760 0.74 PSMB5 (0.41) GAARORC
SCHEMBL19205757 0.74 PSMB5 (0.41) GAARORC
SCHEMBL22270547 0.73 TRPV1 (0.34) —
SCHEMBL22270671 0.72 RORC (0.39) RORC
SCHEMBL22270668 0.72 KDR (0.36) ALDH1A1GAAHPGDRORC
SCHEMBL21796354 0.72 SMN1; SMN2 (0.40) GAARORC

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-3686187-A1 PROCESS FOR THE PREPARATION OF ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2020-07-29 — — EP disclosed
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