SCHEMBL8551357

SCHEMBL8551357

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.37
KMT2A Q03164 4/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
GALR3 O60755 1/20 0.37
NR2F2 P24468 1/20 0.37
GPR183 P32249 1/20 0.37
GPR35 Q9HC97 1/20 0.37
TSHR P16473 4/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP1A2 P05177 2/20 0.35
MAPK1 P28482 2/20 0.35
CYP2D6 P10635 2/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL8544116 0.81 SMN1; SMN2 (0.35) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL8550018 0.79 SMN1; SMN2 (0.38) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL11272569 0.78 SMN1; SMN2 (0.46) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL11274814 0.78 PLA2G1B (0.38) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL8549402 0.76 MEN1 (0.36) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL8547507 0.73 HTT (0.49) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL9237010 0.72 SMN1; SMN2 (0.38) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL9828853 0.70 PLA2G1B (0.38) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL1627207 0.70 SMN1; SMN2 (0.46) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL17191914 0.70 SMN1; SMN2 (0.35) SMN1; SMN2KMT2ANPC1RAB9AMEN1

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