SCHEMBL1872226

SCHEMBL1872226

C=NNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 1/20 0.47
▸ SKP2 Q13309 1/20 0.47
▸ PTGS1 P23219 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ ALPL P05186 1/20 0.43
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KDR P35968 2/20 0.42
▸ EGFR P00533 1/20 0.42
▸ FGFR1 P11362 1/20 0.42
▸ IDH2 P48735 2/20 0.42
▸ TRPV1 Q8NER1 1/20 0.42
▸ SCN9A Q15858 4/20 0.41
▸ SCN5A Q14524 2/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ DGAT1 O75907 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ NPC1 O15118 1/20 0.39

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
SCHEMBL1873326 0.80 EDNRA (0.53) CKS1BSKP2PTGS2KMT2ANAMPT
SCHEMBL1865060 0.75 PDK2 (0.38) CKS1BSKP2PTGS2ALPLCYP11B1
SCHEMBL5990332 0.71 CYP11B1 (0.51) PTGS1PTGS2CYP11B1CYP11B2KDR
SCHEMBL15009839 0.70 CYP11B1 (0.50) PTGS1PTGS2CYP11B1CYP11B2KDR
SCHEMBL20458034 0.70 CKS1B (0.60) CKS1BSKP2TSHRKMT2AIDH2
SCHEMBL30545136 0.70 CNR1 (0.56) CYP11B1CYP11B2KDRDGAT1KCNH2
SCHEMBL14832292 0.70 CNR1 (0.56) CYP11B1CYP11B2KDRDGAT1KCNH2
SCHEMBL31661850 0.69 MKNK1 (0.55) CYP11B1CYP11B2KDREGFRFGFR1
Hydrochloric Acid SCHEMBL27927303 0.68 MKNK1 (0.53) CYP11B1CYP11B2KDREGFRFGFR1
SCHEMBL15989428 0.67 CYP11B1 (0.53) CYP11B1CYP11B2KDREGFRFGFR1

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-2496577-A1 IMIDAZOPYRIDINE DERIVATIVES Piramal Life Sciences Limited (IN) 2012-09-12 — — EP claimed
WO-2011055320-A1 IMIDAZOPYRIDINE DERIVATIVES PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-05-12 — — WO claimed
EP-2496577-A1 IMIDAZOPYRIDINE DERIVATIVES Piramal Life Sciences Limited (IN) 2012-09-12 — — EP disclosed
WO-2011055320-A1 IMIDAZOPYRIDINE DERIVATIVES PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-05-12 — — WO disclosed
Send feedback