SCHEMBL10429335

SCHEMBL10429335

COc1ccc(-c2nccc(C(N)=O)c2N)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
AR P10275 1/20 0.46
CSF1R P07333 2/20 0.45
JAK2 O60674 1/20 0.43
ALDH1A1 P00352 4/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SYK P43405 2/20 0.43
GPR52 Q9Y2T5 1/20 0.43
KDM4E B2RXH2 4/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
MAPK1 P28482 2/20 0.40
CYP17A1 P05093 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL10429316 0.85 KMO (0.50) CSF1RJAK2GPR52KDM4EMKNK1
SCHEMBL10429369 0.84 GPR52 (0.45) GPR52KDM4EMKNK1MKNK2MAPK8
SCHEMBL31261339 0.79 KDM1A (0.49)
SCHEMBL10429365 0.79 KDM4E (0.52) ALDH1A1KMT2AKDM4EHPGDPTGS2
SCHEMBL14678392 0.72 PDE2A (0.47) LMNAHTTARCSF1RJAK2
SCHEMBL13945492 0.72 ALDH1A1 (0.48) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL25956693 0.72 CTSA (0.40) LMNAHTTCSF1RSYKGPR52
SCHEMBL4346539 0.72 JAK2 (0.50) LMNAHTTARJAK2ALDH1A1
SCHEMBL22285955 0.71 GAA (0.41) LMNAALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL1758364 0.70 IKBKB (0.47) JAK2ALDH1A1MEN1KMT2AKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4920119-A XANTHINE OXIDASE INHIBITORS; CONTROL OR PREVENTION OF GOUT OR ISCHEMIA HOFFMANN-LA ROCHE INC. (US) 1990-04-24 US disclosed
EP-0274654-A2 1,2,3-Triazin-4(3H)-one derivatives, process for their preparation and medicaments containing them F. HOFFMANN-LA ROCHE AG (CH) 1988-07-20 EP disclosed