SCHEMBL9714307

SCHEMBL9714307

Cc1c(C(N)=O)ncn1Cc1c(F)cccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.46
SCD O00767 1/20 0.44
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 2/20 0.38
PKM P14618 2/20 0.38
GAA P10253 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
FLT3 P36888 1/20 0.37
HDAC1 Q13547 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
KCNH2 Q12809 1/20 0.37
MAPK1 P28482 1/20 0.37
CD38 P28907 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
C1S P09871 4/20 0.36

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
SCHEMBL9714294 0.86 CA5A (0.48) CA5AALDH1A1KDM4ETSHRPKM
SCHEMBL10567125 0.83 ALDH1A1 (0.51) ALDH1A1KDM4ETSHRALOX15TDP1
SCHEMBL9714155 0.82 CA5A (0.47) CA5AALDH1A1KDM4ETSHRPKM
SCHEMBL18050891 0.77 TSHR (0.47) CA5AALDH1A1KDM4ETSHRPKM
SCHEMBL31333084 0.75 CA5A (0.52) CA5ATSHRADORA2AADORA1FLT3
SCHEMBL10662727 0.75 CA5A (0.52) CA5AALDH1A1KDM4EADORA2AADORA1
SCHEMBL10571269 0.75 ALDH1A1 (0.48) ALDH1A1KDM4ETSHRALOX15TDP1
SCHEMBL12604388 0.74 SCD (0.74) SCDKDM4ETSHRPKMGAA
SCHEMBL9714248 0.74 LMNA (0.55) SCDALDH1A1KDM4EGAAPTGDR2
SCHEMBL9714280 0.73 CA5A (0.57) CA5AALDH1A1KDM4EPKMPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0248414-B1 ARALKYL IMIDAZOLE DERIVATIVES CIBA-GEIGY AG (CH) 1992-09-23 EP claimed
EP-0248414-A2 Aralkyl imidazole derivatives CIBA-GEIGY AG (CH) 1987-12-09 EP claimed
EP-0248414-B1 ARALKYL IMIDAZOLE DERIVATIVES CIBA-GEIGY AG (CH) 1992-09-23 EP disclosed
US-4851424-A 1-Phenyl-lower alkyl-imidazole 4- or 5-carboxamide compounds which are useful in the treatment of epilepsy CIBA-GEIGY CORPORATION (US) 1989-07-25 US disclosed
EP-0248414-A2 Aralkyl imidazole derivatives CIBA-GEIGY AG (CH) 1987-12-09 EP disclosed