SCHEMBL5497214

SCHEMBL5497214

O=C(O)Oc1cn(Cc2ccccc2)c2ccc(-c3ccc(F)c(Cl)c3)cc12

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ICMT O60725 14/20 0.66
SERPINE1 P05121 4/20 0.47
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.41

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
SCHEMBL3886802 0.90 ICMT (0.62) ICMTSERPINE1CYP1A2CYP2C9CYP2C19
SCHEMBL4941452 0.83 ICMT (0.70) ICMTSERPINE1CYP1A2CYP2C9CYP2C19
SCHEMBL3861443 0.81 ICMT (0.67) ICMTSERPINE1CYP1A2CYP2C9CYP2C19
SCHEMBL12572685 0.79 ICMT (0.70) ICMTSERPINE1LMNA
SCHEMBL9030278 0.77 LMNA (0.61) CYP1A2CYP2C9CYP2C19HTTNPSR1
SCHEMBL5572599 0.75 SERPINE1 (0.60) ICMTSERPINE1LMNA
SCHEMBL3237157 0.70 MAPT (0.48)
SCHEMBL4940403 0.70 ICMT (0.53) ICMT
SCHEMBL2490511 0.70 LMNA (0.59) LMNA
SCHEMBL27768465 0.70 PLA2G2A (0.58) LMNA

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-1397130-B1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH CORP (US) 2007-07-25 EP claimed