SCHEMBL18166377

SCHEMBL18166377

Cc1ccc(-c2cc(OC(=O)NC(C)c3ccccn3)cc(-n3cnnn3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
P2RX3 P56373 5/20 0.40
P2RX2 Q9UBL9 5/20 0.40
PPARG P37231 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
NCOA1 Q15788 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
TSHR P16473 1/20 0.38
TP53 P04637 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
SCHEMBL18166309 0.90 KMT2A (0.46) KMT2AP2RX3P2RX2KDM4EPOLB
SCHEMBL18166305 0.89 P2RX3 (0.53) P2RX3P2RX2
SCHEMBL18166359 0.88 P2RX3 (0.40) KMT2AP2RX3P2RX2KDM4EPOLB
SCHEMBL10243029 0.86 P2RX3 (0.53) P2RX3P2RX2PPARG
SCHEMBL18166395 0.85 KMT2A (0.41) KMT2AP2RX3P2RX2KDM4EPOLB
SCHEMBL18166425 0.84 KMT2A (0.44) KMT2AP2RX3P2RX2TDP1TSHR
SCHEMBL18166321 0.84 KMT2A (0.44) KMT2AP2RX3P2RX2TSHRTP53
SCHEMBL18166449 0.84 ACKR3 (0.38)
SCHEMBL18166443 0.84 MARS1 (0.43) KMT2APOLBMAPT
SCHEMBL18166313 0.83 KMT2A (0.42) KMT2AP2RX3P2RX2MAPTTSHR

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