SCHEMBL25533309

SCHEMBL25533309

Cc1cc(Cl)c(C2CC2)c(Br)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 3/20 0.33
PDE10A Q9Y233 1/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 3/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 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
SCHEMBL16478255 0.85 NPC1 (0.35) PDE10ANPC1RAB9ASMN1; SMN2
SCHEMBL26207348 0.77 MAOA (0.37) ALDH1A1
SCHEMBL28906398 0.76 CYP3A4 (0.39) ALDH1A1GAA
SCHEMBL29679938 0.76 HSD17B10 (0.39) KMT2AMEN1LMNASMN1; SMN2
SCHEMBL31243002 0.76 CYP3A4 (0.39) ALDH1A1GAA
SCHEMBL23043132 0.76 HSD17B10 (0.39) KMT2AMEN1LMNASMN1; SMN2
SCHEMBL28221164 0.76 SELL (0.39) KMT2AALDH1A1POLBKDM4ENPC1
SCHEMBL31527295 0.72 TRPV4 (0.35)
SCHEMBL31527534 0.72 ALDH1A1 (0.38) ALDH1A1
SCHEMBL31527207 0.72 RECQL (0.32)

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-2023039240-A9 IRREVERSIBLE INHIBITORS OF KRas BIOMEA FUSION, INC. (US) 2023-06-01 WO disclosed