SCHEMBL9045170

SCHEMBL9045170

O=c1[nH]cnc(O)c1Cc1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
AR P10275 1/20 0.43
DAO P14920 3/20 0.42
PARP1 P09874 2/20 0.42
AURKA O14965 1/20 0.42
DAPK3 O43293 1/20 0.42
JAK2 O60674 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PAK4 O96013 1/20 0.42
ABL1 P00519 1/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 1/20 0.42
IGF1R P08069 1/20 0.42
MET P08581 1/20 0.42
PDGFRB P09619 1/20 0.42
PIM1 P11309 1/20 0.42
FGFR1 P11362 1/20 0.42

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
SCHEMBL9047855 0.79 AR (0.47) SMN1; SMN2ARDAOPNPNR3C1
SCHEMBL9046955 0.79 PNP (0.38) SMN1; SMN2MEN1KMT2APARP1MAPT
SCHEMBL2178053 0.76 SMN1; SMN2 (0.47) SMN1; SMN2ARDAOKDM4ELMNA
SCHEMBL14434857 0.69 CYP1A2 (0.41) SMN1; SMN2PARP1KDM4ELMNAPNP
SCHEMBL6425337 0.68 GRIN1 (0.39) MEN1KMT2AKDM4E
SCHEMBL7305815 0.68 PARP1 (0.42) SMN1; SMN2PARP1AURKADAPK3JAK2
SCHEMBL14728509 0.67 AR (0.42) SMN1; SMN2ARPNPIDO1
SCHEMBL5178271 0.67 ALDH1A1 (0.50) SMN1; SMN2IDO1
SCHEMBL15844018 0.66 DAO (0.54) SMN1; SMN2ARDAOKDM4ELMNA
SCHEMBL2673325 0.66 TYMP (0.66) SMN1; SMN2ARDAOKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0510526-B1 Use of sulfonamides as drug and new sulfonamides HOFFMANN LA ROCHE (CH) 1996-12-04 EP disclosed
EP-0713487-A1 NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVES DONG WHA PHARMACEUTICAL INDUSTRIAL CO. LTD. (KR) 1996-05-29 EP disclosed
US-5270313-A Treatment of circulatory disorders HOFFMANN-LA ROCHE INC. (US) 1993-12-14 US disclosed
EP-0510526-A1 Use of sulfonamides as drug and new sulfonamides F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1992-10-28 EP disclosed