SCHEMBL22900604

SCHEMBL22900604

CCCOc1ccc([C@@H]2c3c(nn(C)c3C)C(=O)N2c2ccc3[nH]cnc3c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 8/20 0.58
QPCTL Q9NXS2 2/20 0.58
BRD4 O60885 12/20 0.45
BRD2 P25440 11/20 0.45
BRD3 Q15059 11/20 0.45
CREBBP Q92793 3/20 0.44

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
SCHEMBL22900196 1.00 QPCT (0.58) QPCTQPCTLBRD4BRD2BRD3
SCHEMBL22900602 1.00 QPCT (0.58) QPCTQPCTLBRD4BRD2BRD3
SCHEMBL22900309 0.91 QPCT (0.55) QPCTQPCTLBRD4BRD2BRD3
SCHEMBL22900205 0.91 QPCT (0.57) QPCTQPCTLBRD4BRD2BRD3
SCHEMBL22900209 0.89 QPCT (0.56) QPCTQPCTLBRD4BRD2BRD3
SCHEMBL22900198 0.89 QPCT (0.49) QPCTQPCTLBRD4BRD2BRD3
SCHEMBL22900299 0.88 QPCT (0.53) QPCTQPCTLBRD4BRD2BRD3
SCHEMBL22900203 0.88 QPCT (0.55) QPCTQPCTLBRD4BRD2BRD3
SCHEMBL22900603 0.88 QPCT (0.56) QPCTQPCTLBRD4BRD2BRD3
SCHEMBL22900605 0.88 QPCT (0.56) QPCTQPCTLBRD4BRD2BRD3

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
WO-2021009068-A1 N-SUBSTITUTED-3,4-(FUSED 5-RING)-5-PHENYL-PYRROLIDINE-2-ONE COMPOUNDS AS INHIBITORS OF ISOQC AND/OR QC ENZYME SCENIC IMMUNOLOGY B.V. (NL) 2021-01-21 WO disclosed