SCHEMBL9132467

SCHEMBL9132467

O=C(Nc1cccc2[nH]ccc12)c1ccc(Cl)cc1OCC1CO1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHPS P49366 6/20 0.49
S1PR1 P21453 2/20 0.42
SCN10A Q9Y5Y9 4/20 0.40
SCN8A Q9UQD0 3/20 0.40
NHERF1 O14745 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RHEB Q15382 1/20 0.39
KDM1A O60341 1/20 0.39
NR4A2 P43354 2/20 0.39
PARP1 P09874 1/20 0.39
GOT1 P17174 1/20 0.39

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
SCHEMBL9133056 0.88 ALDH1A1 (0.44) DHPSS1PR1
SCHEMBL9129615 0.87 DHPS (0.45) DHPSS1PR1PARP1
SCHEMBL9132944 0.83 AKR1C3 (0.43) DHPSS1PR1SCN10ASCN8A
SCHEMBL9130225 0.81 NPC1 (0.47) DHPSKDM1APARP1
SCHEMBL9132676 0.80 DHPS (0.41) DHPSS1PR1SCN10ASCN8APARP1
SCHEMBL9132573 0.80 DHPS (0.57) DHPSS1PR1PARP1
SCHEMBL9806178 0.74 DHPS (0.60) DHPSPARP1
SCHEMBL7884121 0.72 ALDH1A1 (0.51) CYP1A2CYP3A4CYP2C9
SCHEMBL1499352 0.72 ALDH1A1 (0.51) CYP1A2CYP3A4CYP2C9
SCHEMBL29989447 0.72 ALDH1A1 (0.51) CYP1A2CYP3A4CYP2C9

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
US-5380722-A Antiarrhythmia agents ROUSSEL-UCLAF (FR) 1995-01-10 US disclosed
US-5084455-A Antiarrhythmia agents for mammals ROUSSEL UCLAF (FR) 1992-01-28 US disclosed
US-4908367-A Antiarrythmic agents Uclaf, Roussel (FR) 1990-03-13 US disclosed
US-4791109-A Novel indole carboxamides ROUSSEL UCLAF (FR) 1988-12-13 US disclosed