SCHEMBL11532244

SCHEMBL11532244

CCC(c1ccccc1)(c1ccccc1)n1cncn1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.66
HSP90AA1 P07900 2/20 0.45
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.35
ACHE P22303 1/20 0.34
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL11534339 0.91 CYP19A1 (0.60) CYP19A1HSP90AA1LMNACYP11B1CYP11B2
SCHEMBL11533323 0.91 CYP19A1 (0.60) CYP19A1HSP90AA1LMNACYP3A4
SCHEMBL11532087 0.89 CYP19A1 (0.58) CYP19A1HSP90AA1LMNACYP3A4
SCHEMBL11536380 0.89 CYP19A1 (0.54) CYP19A1HSP90AA1LMNACYP11B1CYP11B2
SCHEMBL11533590 0.87 CYP19A1 (0.51) CYP19A1HSP90AA1LMNAMAPTACHE
SCHEMBL11531310 0.84 CYP19A1 (0.49) CYP19A1HSP90AA1LMNAMAPTCYP11B1
SCHEMBL11530562 0.82 CYP19A1 (0.48) CYP19A1HSP90AA1LMNACYP3A4
SCHEMBL11530495 0.81 CYP19A1 (0.49) CYP19A1HSP90AA1LMNACYP11B1CYP11B2
SCHEMBL11530796 0.79 CYP19A1 (0.48) CYP19A1HSP90AA1CYP11B1CYP11B2CYP3A4
SCHEMBL11534213 0.78 CYP19A1 (0.47) CYP19A1HSP90AA1LMNACYP3A4

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