SCHEMBL31470321

SCHEMBL31470321

OC1(C(F)(F)F)CCCN(c2nc(Cl)nc3c(F)c(Br)c(Cl)cc23)CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.33
SCN9A Q15858 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL31470355 0.85 ALDH1A1 (0.34) CNR2ALDH1A1SMN1; SMN2
SCHEMBL17030874 0.82 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2
SCHEMBL27147161 0.82 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2
SCHEMBL30538962 0.81 MAT2A (0.35) RORCCNR2ALDH1A1SMN1; SMN2
SCHEMBL27066611 0.81 MAT2A (0.35) RORCCNR2ALDH1A1SMN1; SMN2
SCHEMBL27152461 0.81 MAT2A (0.35) RORCCNR2ALDH1A1SMN1; SMN2
SCHEMBL25253238 0.79 ALDH1A1 (0.33) CNR2ALDH1A1SMN1; SMN2
SCHEMBL25165073 0.78 SGK1 (0.34) CNR2ALDH1A1SMN1; SMN2
SCHEMBL25337256 0.76 KRAS (0.39)
SCHEMBL25081570 0.76 SMN1; SMN2 (0.43) ALDH1A1SMN1; 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-2025077770-A1 FUSED RING COMPOUND AND USE THEREOF IN KRAS INHIBITOR 成都海博为药业有限公司 2025-04-17 WO disclosed