SCHEMBL11534615

SCHEMBL11534615

Cc1ccccc1C(C(=O)C(C)(C)C)(c1ccccc1)n1cncn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.40
MAPT P10636 4/20 0.38
HSP90AA1 P07900 3/20 0.35
CYP19A1 P11511 2/20 0.35
POLB P06746 2/20 0.32
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 3/20 0.31
CYP26A1 O43174 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
MITF O75030 1/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL11532290 0.88 LMNA (0.39) LMNATSHRMAPTHSP90AA1CYP19A1
SCHEMBL11532830 0.88 LMNA (0.50) LMNATSHRMAPTHSP90AA1CYP19A1
SCHEMBL11536409 0.87 LMNA (0.41) LMNATSHRMAPTHSP90AA1CYP19A1
SCHEMBL11532979 0.86 TSHR (0.44) LMNATSHRMAPTHSP90AA1CYP19A1
SCHEMBL11531974 0.84 CYP19A1 (0.42) LMNATSHRMAPTHSP90AA1CYP19A1
SCHEMBL11539564 0.82 NPSR1 (0.41) LMNATSHRMAPTHSP90AA1CYP19A1
SCHEMBL11535387 0.82 LMNA (0.44) LMNATSHRMAPTHSP90AA1CYP19A1
SCHEMBL11536119 0.81 LMNA (0.41) LMNATSHRMAPTHSP90AA1CYP19A1
SCHEMBL11535310 0.81 TSHR (0.42) LMNATSHRMAPTHSP90AA1CYP19A1
SCHEMBL11539190 0.81 TSHR (0.54) LMNATSHRMAPTHSP90AA1CYP19A1

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