SCHEMBL11535310

SCHEMBL11535310

Cc1cc(C(C(=O)C(C)(C)C)(c2ccccc2)n2cncn2)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.39
MAPT P10636 2/20 0.35
CYP19A1 P11511 6/20 0.34
HSP90AA1 P07900 1/20 0.33
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
CYP3A4 P08684 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MITF O75030 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
KLF5 Q13887 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
NPC1 O15118 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
SCHEMBL11531974 0.90 CYP19A1 (0.42) TSHRLMNAMAPTCYP19A1HSP90AA1
SCHEMBL11536284 0.87 LMNA (0.37) TSHRLMNAMAPTCYP19A1HSP90AA1
SCHEMBL11539190 0.87 TSHR (0.54) TSHRLMNAMAPTCYP19A1HSP90AA1
SCHEMBL11532830 0.87 LMNA (0.50) TSHRLMNAMAPTCYP19A1HSP90AA1
SCHEMBL11536119 0.85 LMNA (0.41) TSHRLMNAMAPTCYP19A1HSP90AA1
SCHEMBL11536569 0.84 TSHR (0.51) TSHRLMNAMAPTCYP19A1HSP90AA1
SCHEMBL11535387 0.83 LMNA (0.44) TSHRLMNAMAPTCYP19A1HSP90AA1
SCHEMBL11532979 0.82 TSHR (0.44) TSHRLMNAMAPTCYP19A1HSP90AA1
SCHEMBL11538722 0.82 CYP19A1 (0.47) TSHRLMNAMAPTCYP19A1HSP90AA1
SCHEMBL11535471 0.81 TSHR (0.58) TSHRLMNACYP19A1HSP90AA1RAB9A

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