SCHEMBL18166370

SCHEMBL18166370

Cc1ccc(-c2cc(OC(=O)NC(C)c3nccs3)cc(-n3cnnn3)c2)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.36
MEN1 O00255 4/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NCOA1 Q15788 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
ALDH1A1 P00352 1/20 0.33
F2 P00734 1/20 0.33
ESR1 P03372 1/20 0.33
NAMPT P43490 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32

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
SCHEMBL18166454 0.91 KMT2A (0.36) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL18166395 0.88 KMT2A (0.41) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL10243378 0.88 CYP11B2 (0.38) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL18166298 0.84 P2RX3 (0.42)
SCHEMBL18036354 0.82 KMT2A (0.39) KMT2AMEN1MAPTESR1
SCHEMBL18166440 0.79 MARS1 (0.40) KMT2AMEN1MAPTALDH1A1F2
SCHEMBL18166443 0.79 MARS1 (0.43) KMT2AMEN1MAPTPOLBCTDSP1
SCHEMBL18166360 0.78 CTSA (0.33) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL18166354 0.78 KMT2A (0.38) KMT2AMEN1ALDH1A1F2
SCHEMBL10243457 0.78 P2RX3 (0.46) KMT2AMEN1NPC1RAB9AMAPT

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
EP-2038264-B1 TETRAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2016-10-26 EP claimed