SCHEMBL9714409

SCHEMBL9714409

NC(=O)c1cncn1Cc1cccc(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.40
PDPK1 O15530 1/20 0.40
RPS6KB1 P23443 1/20 0.40
LMNA P02545 1/20 0.39
MAP3K14 Q99558 1/20 0.39
GPBAR1 Q8TDU6 6/20 0.39
ALKBH1 Q13686 1/20 0.37
CA5A P35218 1/20 0.36
STAT6 P42226 1/20 0.35
P2RX7 Q99572 2/20 0.35
MET P08581 1/20 0.35
GRM2 Q14416 1/20 0.34
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
PDE10A Q9Y233 1/20 0.33
DPP4 P27487 1/20 0.33

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
SCHEMBL9714161 0.85 CA5A (0.48) GPBAR1CA5AGRM2
SCHEMBL10569749 0.81 CYP11B2 (0.46) LMNA
SCHEMBL9714594 0.78 GPBAR1 (0.55) AURKARPS6KB1GPBAR1GRM2
SCHEMBL9714101 0.78 GPBAR1 (0.45) AURKARPS6KB1GPBAR1ALKBH1GRM2
SCHEMBL10771365 0.76 ALKBH1 (0.40) LMNAALKBH1P2RX7METPTGDR2
SCHEMBL2145230 0.72 KMT2A (0.53) LMNAGPBAR1
SCHEMBL30092550 0.70 AURKA (0.42) AURKAPDPK1RPS6KB1CA5AP2RX7
SCHEMBL9714289 0.70 CA5A (0.45) AURKAPDPK1RPS6KB1ALKBH1CA5A
SCHEMBL21043084 0.69 NPC1 (0.47) AURKAPDPK1RPS6KB1
SCHEMBL24791689 0.68 HTR7 (0.43) LMNAHTR1AHTR7

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-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