SCHEMBL8550018

SCHEMBL8550018

Cc1c(N)cnn(C(C)(C)C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 4/20 0.37
CYP2C9 P11712 4/20 0.37
TSHR P16473 4/20 0.37
CYP2C19 P33261 3/20 0.37
CYP2D6 P10635 3/20 0.37
KMT2A Q03164 3/20 0.35
HPGD P15428 3/20 0.35
CYP1A2 P05177 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
GALR3 O60755 1/20 0.35
NR2F2 P24468 1/20 0.35
GPR183 P32249 1/20 0.35
GPR35 Q9HC97 1/20 0.35
PIK3CD O00329 1/20 0.34

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 0.82 SMN1; SMN2 (0.35) SMN1; SMN2LMNACYP3A4CYP2C9TSHR
SCHEMBL12410744 0.80 TSHR (0.41) SMN1; SMN2LMNACYP3A4CYP2C9TSHR
SCHEMBL11274814 0.79 PLA2G1B (0.38) SMN1; SMN2LMNACYP3A4CYP2C9TSHR
SCHEMBL8551357 0.79 SMN1; SMN2 (0.37) SMN1; SMN2LMNACYP3A4CYP2C9TSHR
SCHEMBL11272569 0.79 SMN1; SMN2 (0.46) SMN1; SMN2LMNACYP3A4CYP2C9TSHR
SCHEMBL8549402 0.78 MEN1 (0.36) SMN1; SMN2LMNACYP3A4CYP2C9TSHR
SCHEMBL9237010 0.77 SMN1; SMN2 (0.38) SMN1; SMN2LMNACYP3A4CYP2C9TSHR
SCHEMBL3845405 0.77 SMN1; SMN2 (0.43) SMN1; SMN2LMNACYP3A4CYP2C9TSHR
SCHEMBL9235153 0.77 SMN1; SMN2 (0.38) SMN1; SMN2LMNACYP3A4CYP2C9TSHR
SCHEMBL15650816 0.75 HPGD (0.34) SMN1; SMN2HPGDCYP1A2

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