SCHEMBL9615707

SCHEMBL9615707

O=C(Nc1ccccc1)C(Cc1ccc(Cl)cc1)n1ccnn1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
TP53 P04637 4/20 0.51
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KLK7 P49862 4/20 0.45
F9 P00740 1/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
PPARG P37231 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
MEN1 O00255 1/20 0.42
FAAH O00519 1/20 0.41

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
SCHEMBL9615760 0.82 PPARG (0.51) NPSR1KMT2APPARGHDAC8
SCHEMBL10390639 0.78 MAPT (0.49) MAPTKMT2APPARGMEN1
SCHEMBL9327978 0.76 MAPT (0.52) MAPTTP53MAPK1NPSR1KLK7
SCHEMBL9615672 0.76 HSD17B10 (0.57) MAPTPKMNPSR1KMT2APOLB
SCHEMBL3521282 0.73 FAAH (0.42) MAPTPKMKMT2APPARGMEN1
SCHEMBL6663334 0.69 ROCK2 (0.60) PKMKMT2AHDAC8MEN1
SCHEMBL10176502 0.69 ROCK2 (0.60) PKMKMT2AHDAC8MEN1
SCHEMBL21880195 0.69 ROCK2 (0.60) PKMKMT2AHDAC8MEN1
SCHEMBL2610069 0.67 KMT2A (0.54) KLK7KMT2AMEN1
SCHEMBL10362109 0.67 CYP19A1 (0.49) MAPTMAPK1KMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4154770-A None JP disclosed
JP-H04154770-A TRIAZOLECARBOXLIC ACID AMIDE DERIVATIVE AND AGRICULTURAL AND HORTICULTURAL GERMICIDE HOKKO CHEM IND CO LTD 1992-05-27 JP disclosed