SCHEMBL18166309

SCHEMBL18166309

Cc1ccc(-c2cc(OC(=O)NC(C)c3ncccn3)cc(-n3cnnn3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
TSHR P16473 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 2/20 0.37
P2RX3 P56373 1/20 0.37
P2RX2 Q9UBL9 1/20 0.37
CTSK P43235 1/20 0.36
NOTUM Q6P988 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.35
NCOA1 Q15788 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35

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
SCHEMBL18166377 0.90 KMT2A (0.44) KMT2ATSHRTP53MAPTP2RX3
SCHEMBL18166312 0.88 KMT2A (0.40) KMT2ATSHRTP53MAPTP2RX3
SCHEMBL18166425 0.87 KMT2A (0.44) KMT2ATSHRTP53P2RX3P2RX2
SCHEMBL18166321 0.86 KMT2A (0.44) KMT2ATSHRTP53P2RX3P2RX2
SCHEMBL18166395 0.85 KMT2A (0.41) KMT2ATSHRTP53MAPTP2RX3
SCHEMBL18166305 0.85 P2RX3 (0.53) P2RX3P2RX2
SCHEMBL10243294 0.85 P2RX3 (0.49) KMT2ATSHRP2RX3P2RX2
SCHEMBL18166313 0.85 KMT2A (0.42) KMT2ATSHRTP53MAPTP2RX3
SCHEMBL18036403 0.83 KMT2A (0.46) KMT2ATSHRTP53MAPTP2RX3
SCHEMBL18036460 0.83 KMT2A (0.45) KMT2A

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