SCHEMBL11533864

SCHEMBL11533864

CCC(C)C(c1ccccc1)(c1ccc(C)cc1C)n1cncn1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
HSP90AA1 P07900 2/20 0.33
CYP19A1 P11511 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
CYP3A4 P08684 1/20 0.31
ACSS2 Q9NR19 1/20 0.30
TP53 P04637 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
SCHEMBL11531851 0.88 HSP90AA1 (0.35) MEN1LMNAMAPTKMT2AHSP90AA1
SCHEMBL11534655 0.84 HSP90AA1 (0.41) MEN1LMNAMAPTKMT2AHSP90AA1
SCHEMBL11532987 0.78 KMT2A (0.36) MEN1LMNAMAPTKMT2AGPR55
SCHEMBL11536075 0.77 TSHR (0.38) MEN1KMT2AHSP90AA1CYP19A1CYP3A4
SCHEMBL11533728 0.77 CYP19A1 (0.38) LMNAMAPTKMT2AHSP90AA1CYP19A1
SCHEMBL11530866 0.76 LMNA (0.36) MEN1LMNAMAPTKMT2AGPR55
SCHEMBL11531946 0.73 HSP90AA1 (0.41) MEN1LMNAMAPTKMT2AHSP90AA1
SCHEMBL11530562 0.71 CYP19A1 (0.48) LMNAHSP90AA1CYP19A1OPRM1OPRD1
SCHEMBL11532290 0.70 LMNA (0.39) MEN1LMNAMAPTKMT2AGPR55
SCHEMBL11532671 0.67 LMNA (0.35) MEN1LMNAMAPTKMT2AHSP90AA1

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
US-4140782-A Combating fungi and nematodes with diphenyl-triazolyl-methanes BAYER AKTIENGESELLSCHAFT (DE) 1979-02-20 US disclosed