SCHEMBL18166359

SCHEMBL18166359

Cc1ccc(-c2cc(OC(=O)NC(C)c3ccccn3)cc(-n3cnnn3)c2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.40
P2RX2 Q9UBL9 2/20 0.40
KMT2A Q03164 5/20 0.38
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 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
TP53 P04637 2/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL18166449 0.93 ACKR3 (0.38) MAPK1
SCHEMBL18166312 0.91 KMT2A (0.40) P2RX3P2RX2KMT2AMAPTTDP1
SCHEMBL18166301 0.90 P2RX3 (0.51) P2RX3P2RX2
SCHEMBL18166377 0.88 KMT2A (0.44) P2RX3P2RX2KMT2AKDM4EPOLB
SCHEMBL10243090 0.88 P2RX3 (0.52) P2RX3P2RX2KDM4EPOLBMAPT
SCHEMBL18166454 0.86 KMT2A (0.36) P2RX3P2RX2KMT2AKDM4EPOLB
SCHEMBL18166345 0.86 WDR5 (0.44) KMT2AKDM4EPOLBMAPTNCOA1
SCHEMBL18166286 0.86 ROCK1 (0.40) P2RX3P2RX2KMT2ATDP1LMNA
SCHEMBL18166303 0.85 ROCK1 (0.39) P2RX3P2RX2KMT2AUSP2TSHR
SCHEMBL18166443 0.85 MARS1 (0.43) KMT2APOLBMAPT

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