SCHEMBL31470355

SCHEMBL31470355

CC1(O)CCCN(c2nc(Cl)nc3c(F)c(Br)c(Cl)cc23)CC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAT2A P31153 1/20 0.32
SCN10A Q9Y5Y9 2/20 0.31
CNR2 P34972 1/20 0.30
STK4 Q13043 1/20 0.30
STK3 Q13188 1/20 0.30

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
SCHEMBL30538962 0.92 MAT2A (0.35) ALDH1A1SMN1; SMN2MAT2ASCN10ACNR2
SCHEMBL27152461 0.92 MAT2A (0.35) ALDH1A1SMN1; SMN2MAT2ASCN10ACNR2
SCHEMBL27066611 0.92 MAT2A (0.35) ALDH1A1SMN1; SMN2MAT2ASCN10ACNR2
SCHEMBL31470321 0.85 RORC (0.33) ALDH1A1SMN1; SMN2CNR2
SCHEMBL27147161 0.84 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2MAT2A
SCHEMBL17030874 0.84 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2MAT2A
SCHEMBL27136960 0.83 MAT2A (0.35) MAT2ASCN10ACNR2
SCHEMBL27136962 0.83 MAT2A (0.35) MAT2ASCN10ACNR2
SCHEMBL25165368 0.83 MAT2A (0.35) ALDH1A1SMN1; SMN2MAT2ASCN10ACNR2
SCHEMBL25235889 0.83 MAT2A (0.35) ALDH1A1SMN1; SMN2MAT2ASCN10ACNR2

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