SCHEMBL6604362

SCHEMBL6604362

COc1ccc2[nH]c(SCCCCCOc3ccccn3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 10/20 0.55
CYP2C8 P10632 10/20 0.55
CYP2D6 P10635 10/20 0.55
CYP2C9 P11712 10/20 0.55
CYP2B6 P20813 10/20 0.55
CYP2C19 P33261 10/20 0.55
CYP1A2 P05177 9/20 0.55
CYP3A4 P08684 8/20 0.55
LMNA P02545 6/20 0.50
MAPT P10636 3/20 0.50
HTT P42858 3/20 0.50
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
AR P10275 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL6604371 0.92 CYP2E1 (0.67) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL6604518 0.87 LMNA (0.60) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL6604228 0.85 AR (0.50) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL6603072 0.84 BCHE (0.58) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL6604274 0.84 BCHE (0.58) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL6603620 0.84 BCHE (0.58) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL6604484 0.84 BCHE (0.58) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL6608159 0.83 BCHE (0.60) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL6603957 0.82 LMNA (0.50) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL22468988 0.81 CYP2E1 (0.81) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6787561-B1 HYPERLIPIDEMIA, ARTERIOSCLEROSIS; ORAL ADMINISTRATION; SUPPRESSING THE FORMING OF MACROPHAGES FUJI PHOTO FILM CO., LTD. (JP) 2004-09-07 US disclosed
EP-1197493-B1 BENZIMIDAZOLE COMPOUNDS FUJI PHOTO FILM CO LTD (JP) 2004-03-24 EP disclosed
EP-1197493-A1 BENZIMIDAZOLE COMPOUNDS FUJI PHOTO FILM CO., LTD. (JP) 2002-04-17 EP disclosed