SCHEMBL11533530

SCHEMBL11533530

COc1ccc(C(C(C)=O)(c2ccccc2)n2cncn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP19A1 P11511 1/20 0.40
LMNA P02545 1/20 0.40
PDE4B Q07343 1/20 0.39
KIF11 P52732 4/20 0.39
IDH1 O75874 1/20 0.39
TSHR P16473 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
MAOB P27338 1/20 0.36
NPY2R P49146 1/20 0.36
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL11538658 0.90 CYP19A1 (0.45) MAPTKMT2ACYP19A1LMNATSHR
SCHEMBL11532706 0.89 LMNA (0.49) MAPTKMT2ACYP19A1LMNAPDE4B
SCHEMBL11536254 0.89 MAPT (0.45) MAPTKMT2ACYP19A1LMNAPDE4B
SCHEMBL11538888 0.88 MAPT (0.47) MAPTKMT2ACYP19A1LMNAPDE4B
SCHEMBL11533669 0.85 LMNA (0.43) MAPTKMT2ACYP19A1LMNAPDE4B
SCHEMBL11536312 0.84 TSHR (0.44) MAPTKMT2ACYP19A1LMNAPDE4B
SCHEMBL11533025 0.84 CYP19A1 (0.46) MAPTKMT2ACYP19A1LMNAPDE4B
SCHEMBL11533863 0.82 LMNA (0.40) MAPTKMT2ACYP19A1LMNAKIF11
SCHEMBL11533163 0.81 TSHR (0.42) MAPTKMT2ALMNAPDE4BTSHR
SCHEMBL11537084 0.80 CYP19A1 (0.55) MAPTKMT2ACYP19A1LMNAPDE4B

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