SCHEMBL31444296

SCHEMBL31444296

COC(=O)c1ccc(N2CCCCC2c2cccc(F)c2F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
HPGD P15428 3/20 0.36
ALDH1A1 P00352 4/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
CDK5 Q00535 2/20 0.35
CDK5R1 Q15078 2/20 0.35
KDM4E B2RXH2 1/20 0.35
DYRK1A Q13627 1/20 0.35
USP30 Q70CQ3 1/20 0.35
HCRTR2 O43614 1/20 0.35

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
SCHEMBL31444319 0.87 HPGD (0.39) TP53HSP90AA1HPGDALDH1A1GAA
SCHEMBL31443660 0.78 SCN9A (0.34) HCRTR2
SCHEMBL31443759 0.74 SCN9A (0.36) HCRTR2
SCHEMBL31443501 0.74 SCN9A (0.36) HCRTR2
SCHEMBL20976884 0.73 MAPT (0.51) TP53HPGDALDH1A1TSHRGAA
SCHEMBL31444401 0.73 NR1H4 (0.39) HSP90AA1HSP90AB1NR1H4DRD2DRD1
SCHEMBL31444483 0.72 ALOX15 (0.42) HSP90AA1HSP90AB1ALDH1A1TSHRHSD17B10
SCHEMBL31444429 0.72 HSP90AA1 (0.43) HSP90AA1HSP90AB1DRD2DRD1DRD4
SCHEMBL16608992 0.72 RAB9A (0.53) TP53ALDH1A1GAAMAPTKDM4E
SCHEMBL31444409 0.71 NR1H4 (0.41) HSP90AA1HSP90AB1NR1H4DRD2DRD1

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-2025072451-A1 RAS-PI3K INHIBITORS FOR THE TREATMENT OF CANCER AND IMMUNOLOGICAL DISEASES VIVIDION THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed