SCHEMBL9011926

SCHEMBL9011926

COc1ccc(-n2ccnc2[S+]([O-])C(c2ccccc2)N(C)C)nc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP19A1 P11511 1/20 0.31

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
SCHEMBL9012047 0.83 KDM4E (0.34)
SCHEMBL9011954 0.74 KDM4E (0.32)
SCHEMBL9234932 0.73 OPRL1 (0.33) CYP1A2CYP2D6CYP2C19
SCHEMBL28929918 0.61 MAPT (0.51)
SCHEMBL15849062 0.59 KMT2A (0.61) CYP1A2CYP2D6CYP2C19
SCHEMBL28565276 0.58 MAPT (0.41) CYP1A2CYP2C19
SCHEMBL20912238 0.57 EGLN1 (0.39) CYP1A2CYP2C19
SCHEMBL31064098 0.57 TYK2 (0.44)
SCHEMBL20689381 0.57 TYK2 (0.40)
SCHEMBL20687662 0.55 TYK2 (0.45) CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5523317-A ADMINISTERING IMIDAZOLE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1996-06-04 US disclosed
EP-0633026-A1 Use of imidazole derivative for antihypertensive agent NIPPON CHEMIPHAR CO., LTD. (JP) 1995-01-11 EP disclosed