SCHEMBL31444331

SCHEMBL31444331

COC(=O)c1ccc(N2CC(F)(F)CC2c2ccccc2Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 4/20 0.41
GLA P06280 4/20 0.41
GAA P10253 4/20 0.41
HPGD P15428 2/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
HSD17B10 Q99714 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
PDE5A O76074 1/20 0.40
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FFAR2 O15552 4/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
OPRM1 P35372 1/20 0.36

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
SCHEMBL31444579 0.86 PDE5A (0.50) PDE5AFFAR2
SCHEMBL31444227 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL31444261 0.77 ALDH1A1 (0.43) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL31444501 0.77 PDE5A (0.43) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL31443571 0.77 PDE5A (0.33) CASP1CASP7PDE5AFFAR2
SCHEMBL31443494 0.77 PDE5A (0.33) CASP1CASP7PDE5AFFAR2
SCHEMBL31444464 0.74 PDE5A (0.53) PDE5AFFAR2
SCHEMBL31444309 0.74 ALDH1A1 (0.40) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL31444483 0.68 ALOX15 (0.42) ALDH1A1GAAHSD17B10L3MBTL1TSHR
SCHEMBL20897510 0.64 ALDH1A1 (0.55) ALDH1A1HPGDHSD17B10TSHRSMN1; SMN2

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