SCHEMBL18166345

SCHEMBL18166345

CC(NC(=O)Oc1cc(-c2ccc(F)cc2Cl)cc(-n2cnnn2)c1)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.44
CNR1 P21554 6/20 0.38
CNR2 P34972 3/20 0.38
KMT2A Q03164 5/20 0.37
MEN1 O00255 3/20 0.37
MAPK1 P28482 3/20 0.36
ADORA2A P29274 1/20 0.35
POLB P06746 2/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
MARS1 P56192 1/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NCOA1 Q15788 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL18166443 0.92 MARS1 (0.43) WDR5CNR1CNR2KMT2AMEN1
SCHEMBL18166449 0.92 ACKR3 (0.38) WDR5MAPK1
SCHEMBL10243066 0.88 WDR5 (0.49) WDR5CNR1CNR2MAPK1ADORA2A
SCHEMBL18166359 0.86 P2RX3 (0.40) KMT2AMAPK1POLBMAPTKDM4E
SCHEMBL18166354 0.86 KMT2A (0.38) WDR5KMT2AMEN1MAPK1ATM
SCHEMBL18166307 0.86 MARS1 (0.37) WDR5KMT2AMEN1POLBMARS1
SCHEMBL18036449 0.83 DGAT2 (0.39) KMT2AMEN1MAPTATMNPSR1
SCHEMBL18166377 0.82 KMT2A (0.44) KMT2APOLBMAPTKDM4ENCOA1
SCHEMBL18166298 0.81 P2RX3 (0.42)
SCHEMBL10243041 0.79 P2RX3 (0.44) WDR5

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