SCHEMBL8742256

SCHEMBL8742256

O=C(N[C@H]1CC[C@H](O)CC1)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.62
RPA1 P27694 1/20 0.61
CNR2 P34972 3/20 0.58
MARS1 P56192 6/20 0.55
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MALT1 Q9UDY8 1/20 0.53
OPRL1 P41146 1/20 0.51
SMPD1 P17405 1/20 0.48

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
SCHEMBL8742262 1.00 CNR1 (0.62) CNR1RPA1CNR2MARS1MEN1
SCHEMBL17203783 0.96 CNR1 (0.67) CNR1RPA1CNR2MARS1MEN1
SCHEMBL8742182 0.81 CNR1 (0.62) CNR1RPA1CNR2MARS1MEN1
SCHEMBL17203717 0.79 RPA1 (0.56) CNR1RPA1CNR2MARS1MEN1
SCHEMBL17204151 0.78 RPA1 (0.54) CNR1RPA1CNR2MARS1MEN1
SCHEMBL7351242 0.78 CNR1 (0.68) CNR1RPA1MARS1MEN1LMNA
SCHEMBL2871062 0.77 RPA1 (1.00) CNR1RPA1MARS1MEN1LMNA
SCHEMBL8197517 0.77 RPA1 (0.80) CNR1RPA1CNR2MARS1MEN1
Hydrochloric Acid SCHEMBL9155041 0.77 CNR1 (0.67) CNR1RPA1MARS1MEN1LMNA
SCHEMBL3095089 0.77 CNR1 (0.53) CNR1CNR2

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
JP-6073014-A None JP disclosed
US-5624941-A Pyrazole derivatives, method of preparing them and pharmaceutical compositions in which they are present SANOFI (FR) 1997-04-29 US disclosed
EP-0576357-B1 Pyrazole derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1997-03-05 EP disclosed
JP-H0673014-A NEW PYRAZOLE DERIVATIVE, ITS PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING IT ELF SANOFI 1994-03-15 JP disclosed
EP-0576357-A1 Pyrazole derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1993-12-29 EP disclosed