SCHEMBL11537609

SCHEMBL11537609

Cc1ccc(C(c2ccc(C)cc2)(n2cncn2)C(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.46
LMNA P02545 1/20 0.40
TSHR P16473 2/20 0.38
KMT2A Q03164 2/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
PDE4B Q07343 1/20 0.32
MAPT P10636 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
SCHEMBL11536568 0.84 LMNA (0.44) CYP19A1LMNATSHRKMT2AHSP90AA1
SCHEMBL11534485 0.81 CYP19A1 (0.42) CYP19A1LMNAKMT2AHSP90AA1MAPT
SCHEMBL11533915 0.81 CYP19A1 (0.37) CYP19A1LMNATSHRHSP90AA1CYP3A4
SCHEMBL11534087 0.81 CYP19A1 (0.43) CYP19A1LMNAKMT2AHSP90AA1MAPT
SCHEMBL11536335 0.80 CYP19A1 (0.44) CYP19A1LMNAKMT2AHSP90AA1CYP3A4
SCHEMBL11538629 0.80 TSHR (0.41) CYP19A1LMNATSHRKMT2AHSP90AA1
SCHEMBL11535926 0.79 KMT2A (0.51) CYP19A1LMNATSHRKMT2AHSP90AA1
SCHEMBL11530866 0.78 LMNA (0.36) CYP19A1LMNAKMT2AHSP90AA1CYP3A4
SCHEMBL11534015 0.77 CYP19A1 (0.42) CYP19A1LMNATSHRKMT2AHSP90AA1
SCHEMBL11535690 0.77 CYP19A1 (0.40) CYP19A1LMNAHSP90AA1MAPT

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