SCHEMBL8545976

SCHEMBL8545976

CC(C)(C)n1ncc(Cl)c(C=O)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.39
TSHR P16473 7/20 0.39
MAPK1 P28482 4/20 0.39
CYP2C19 P33261 4/20 0.39
HTT P42858 3/20 0.39
CYP2D6 P10635 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP1A2 P05177 2/20 0.39
KMT2A Q03164 5/20 0.39
NPC1 O15118 4/20 0.39
MEN1 O00255 4/20 0.39
RAB9A P51151 3/20 0.39
LMNA P02545 2/20 0.39
GALR3 O60755 1/20 0.39
NR2F2 P24468 1/20 0.39
GPR183 P32249 1/20 0.39
GPR35 Q9HC97 1/20 0.39
HPGD P15428 3/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL9237084 0.90 SMN1; SMN2 (0.38) SMN1; SMN2TSHRMAPK1CYP2C19HTT
SCHEMBL1627210 0.79 SMN1; SMN2 (0.50) SMN1; SMN2TSHRMAPK1CYP2C19HTT
SCHEMBL7013194 0.78 LMNA (0.33) SMN1; SMN2TSHRCYP2C19HTTCYP2D6
SCHEMBL3845405 0.78 SMN1; SMN2 (0.43) SMN1; SMN2TSHRMAPK1CYP2C19HTT
SCHEMBL9726468 0.74 TSHR (0.41) SMN1; SMN2TSHRMAPK1CYP2C19HTT
SCHEMBL3848503 0.72 TSHR (0.41) SMN1; SMN2TSHRMAPK1CYP2C19HTT
SCHEMBL8550536 0.72 SMN1; SMN2 (0.38) SMN1; SMN2TSHRMAPK1CYP2C19HTT
SCHEMBL8550187 0.72 TSHR (0.38) SMN1; SMN2TSHRMAPK1CYP2C19HTT
SCHEMBL3846274 0.72 SMN1; SMN2 (0.41) SMN1; SMN2TSHRMAPK1CYP2C19HTT
SCHEMBL8542209 0.72 SMN1; SMN2 (0.38) SMN1; SMN2TSHRMAPK1CYP2C19HTT

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-0717734-B1 PYRIDAZINONE DERIVATIVES OR THEIR SALTS, PROCESSES FOR THEIR PRODUCTION, AND ANTI-SHOCK AGENTS CONTAINING THEM ISHIHARA SANGYO KAISHA (JP) 1998-11-18 EP disclosed
US-5763439-A POTENTIATION ISHIHARA SANGYO KAISHA LTD. (JP) 1998-06-09 US disclosed
EP-0717734-A1 PYRIDAZINONE DERIVATIVES OR THEIR SALTS, PROCESSES FOR THEIR PRODUCTION, AND ANTI-SHOCK AGENTS CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 1996-06-26 EP disclosed
WO-1995007264-A1 PYRIDAZINONE DERIVATIVES OR THEIR SALTS, PROCESSES FOR THEIR PRODUCTION, AND ANTI-SHOCK AGENTS CONTAINING THEM ISHIHARA SANGYO KAISHA LTD. (JP) 1995-03-16 WO disclosed