SCHEMBL9694334

SCHEMBL9694334

Cc1cc(C)nc(N(O)c2cccc(F)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ABCG2 Q9UNQ0 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
SLC6A2 P23975 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
SCHEMBL8987541 0.85 HCRTR2 (0.36) ACHEKDM4EMEN1LMNATP53
SCHEMBL8987703 0.84 FFAR1 (0.41) SMN1; SMN2CETP
SCHEMBL9694344 0.80 ALDH1A1 (0.44) KDM4EMEN1LMNAMAPTTSHR
SCHEMBL15685761 0.69 CES2 (0.43) ACHEMAPK1KMT2AABCG2NPC1
SCHEMBL9044034 0.67 HCRTR2 (0.34) KDM4EMAPTABCG2SLC6A2GRM5
SCHEMBL8987728 0.66 POLB (0.38) KDM4EMEN1MAPTTSHRHTT
SCHEMBL3835181 0.65 KMT2A (0.55) ACHEKDM4EMEN1LMNATP53
SCHEMBL9694466 0.65 FFAR1 (0.39) KDM4EMEN1LMNAMAPTHTT
SCHEMBL17671204 0.65 CES2 (0.44) ACHEKDM4EMEN1LMNAHTT
SCHEMBL21173400 0.63 ACHE (0.64) ACHEKDM4EMEN1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0441747-A2 Microbicide agent CIBA-GEIGY AG (CH) 1991-08-14 EP claimed
US-5120741-A Crop protection against phytopathogenic microorganisms CIBA-GEIGY CORPORATION (US) 1992-06-09 US disclosed
EP-0441747-A2 Microbicide agent CIBA-GEIGY AG (CH) 1991-08-14 EP disclosed