SCHEMBL9714339

SCHEMBL9714339

CC(=O)NC(=O)c1cn(Cc2c(F)cccc2F)cn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.41
CA5A P35218 1/20 0.40
KLKB1 P03952 5/20 0.40
SCD O00767 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38
CYP2C19 P33261 1/20 0.36
PDE4A P27815 1/20 0.36
PDE7A Q13946 1/20 0.36
KDM5B Q9UGL1 2/20 0.35
KDM4A O75164 1/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL9714265 0.87 RIPK1 (0.42) RIPK1CA5AKLKB1SCDSMYD3
SCHEMBL9714332 0.85 KLKB1 (0.44) RIPK1CA5AKLKB1SMYD3CYP2C19
SCHEMBL10568102 0.82 MEN1 (0.46) RIPK1CA5AKLKB1SCDCYP2C19
SCHEMBL12179543 0.81 CA5A (0.46) RIPK1CA5AKLKB1KDM5BKDM4A
SCHEMBL9714146 0.80 CA5A (0.58) RIPK1CA5AKLKB1KDM5BKDM4A
SCHEMBL10568262 0.77 ALDH1A1 (0.48) CA5A
SCHEMBL9857936 0.77 CA5A (0.66) CA5AKLKB1CYP2C19MEN1KMT2A
SCHEMBL21316959 0.75 PTGS1 (0.53)
SCHEMBL9714241 0.74 RIPK1 (0.43) RIPK1CA5AKLKB1CYP2C19PDE7A
SCHEMBL21316963 0.74 POLB (0.41) KLKB1CYP2C19

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-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
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