SCHEMBL9687409

SCHEMBL9687409

COc1c(C(=O)NCc2ccc(Cl)cc2Cl)[nH]c(=O)c(CC(C)C)[n+]1[O-]

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
MAPK1 P28482 1/20 0.43
NLRP1 Q9C000 1/20 0.43
EPHX2 P34913 3/20 0.41
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
P2RX7 Q99572 8/20 0.39
ALOX5 P09917 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 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
SCHEMBL9686849 0.81 F10 (0.41) MAPK1EPHX2TSHRMAPT
SCHEMBL9687392 0.78 CYP1A2 (0.46) LMNAMAPK1ALOX5TSHRMEN1
SCHEMBL9688033 0.76 HTT (0.49) LMNAMAPK1TSHRMEN1KMT2A
SCHEMBL9688037 0.75 TSHR (0.49) LMNATSHRMAPTKMT2A
SCHEMBL9686935 0.73 CNR1 (0.47) ROCK2ROCK1MAPT
SCHEMBL9280239 0.72 RXFP1 (0.45) TSHRMEN1MAPTKMT2AHTT
SCHEMBL9164617 0.72 NPC1 (0.51) LMNAMAPK1TSHRMEN1MAPT
SCHEMBL9278822 0.70 RAB9A (0.46) LMNAMAPK1TSHRMEN1MAPT
SCHEMBL9026831 0.67 IDO1 (0.45) MEN1KMT2A
SCHEMBL18887747 0.65 LMNA (0.57) LMNAMAPK1NLRP1EPHX2P2RX7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed