SCHEMBL31444262

SCHEMBL31444262

COC(=O)c1cnc(N2CC(OC)CC2c2ccccc2Cl)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 4/20 0.41
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
GLA P06280 3/20 0.38
GAA P10253 3/20 0.38
HPGD P15428 2/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATM Q13315 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
TACR1 P25103 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
SCHEMBL31444507 0.89 SMO (0.41) SMOKDM4EALDH1A1GLAGAA
SCHEMBL31444355 0.81 SMO (0.42) SMOKDM4EALDH1A1GLAGAA
SCHEMBL31444516 0.73 NR1H4 (0.43) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL31444309 0.69 ALDH1A1 (0.40) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL31444375 0.68 HSP90AA1 (0.42) SMO
SCHEMBL31444362 0.67 RBP4 (0.36) SMOALDH1A1MEN1KMT2A
SCHEMBL31444304 0.67 HTR2C (0.43) SMO
SCHEMBL31444366 0.67 RORC (0.40)
SCHEMBL2219386 0.67 SMO (0.48) SMOKDM4E
SCHEMBL31444445 0.67 RAB9A (0.50) KDM4EALDH1A1GLAGAAHPGD

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