SCHEMBL8885299

SCHEMBL8885299

O=c1[nH]c2ccc(Cl)cc2n1-c1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.58
HSP90AA1 P07900 4/20 0.55
KDM4E B2RXH2 3/20 0.55
HTT P42858 2/20 0.55
DAO P14920 1/20 0.54
LMNA P02545 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
AKT2 P31751 1/20 0.48
CLK2 P49760 1/20 0.48
DYRK1A Q13627 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
OPRM1 P35372 1/20 0.46
GABRP O00591 2/20 0.46
GABRD O14764 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
GABRA1 P14867 2/20 0.46
GABRB1 P18505 2/20 0.46
GABRG2 P18507 2/20 0.46

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
SCHEMBL22093538 0.82 MAT2A (0.55) AURKAHSP90AA1KDM4EHTTLMNA
SCHEMBL31145445 0.82 MAT2A (0.55) AURKAHSP90AA1KDM4EHTTLMNA
SCHEMBL10559676 0.82 KDM4E (0.74) AURKAHSP90AA1KDM4EHTTDAO
SCHEMBL8886284 0.81 MEN1 (0.77) AURKAHSP90AA1KDM4EHTTDAO
SCHEMBL31743953 0.81 MEN1 (0.77) AURKAHSP90AA1KDM4EHTTDAO
SCHEMBL640118 0.79 AURKA (0.49) AURKAHSP90AA1KDM4EHTTDAO
SCHEMBL8885637 0.79 MAOB (0.46) HSP90AA1KDM4EHTTMEN1KMT2A
SCHEMBL8883239 0.78 KMT2A (0.63) AURKAHSP90AA1KDM4EHTTDAO
SCHEMBL11348908 0.78 LMNA (0.62) AURKAKDM4EHTTDAOLMNA
SCHEMBL21463329 0.77 DAO (0.51) HSP90AA1KDM4EHTTDAOADORA3

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
US-5661169-A HAVE AFFINITY FOR VASOPRESSIN AND/OR OXYTOCIN RECEPTORS SANOFI (FR) 1997-08-26 US disclosed
US-5585394-A INHIBITOR, ANTAGONIST OF VASOPRESSIN OR OXYTOCIN SANOFI (FR) 1996-12-17 US disclosed
EP-0694536-A1 1-Benzyl-1,3-dihydro-2H-benzimidazol-2-one derivatives, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1996-01-31 EP disclosed
EP-0636614-A1 Derivatives of 1-benzenesulfonyl-1,3-dihydro-2H-benzimidazol-2-one, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1995-02-01 EP disclosed