SCHEMBL6604274

SCHEMBL6604274

c1ccc(OCCCCCCSc2nc3ccccc3[nH]2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.58
LMNA P02545 6/20 0.58
KMT2A Q03164 3/20 0.58
MAPT P10636 3/20 0.58
HTT P42858 3/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 1/20 0.58
AR P10275 9/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
TP53 P04637 1/20 0.57
CYP1A2 P05177 1/20 0.55
CYP2E1 P05181 1/20 0.55
CYP2C8 P10632 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2B6 P20813 1/20 0.55
CYP2C19 P33261 1/20 0.55
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 2/20 0.55
EPHX2 P34913 1/20 0.53

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
SCHEMBL6603620 1.00 BCHE (0.58) BCHELMNAKMT2AMAPTHTT
SCHEMBL6603072 1.00 BCHE (0.58) BCHELMNAKMT2AMAPTHTT
SCHEMBL6604484 1.00 BCHE (0.58) BCHELMNAKMT2AMAPTHTT
SCHEMBL6608159 0.99 BCHE (0.60) BCHELMNAKMT2AMAPTHTT
SCHEMBL6604228 0.86 AR (0.50) BCHELMNAKMT2AMAPTHTT
SCHEMBL6604521 0.86 LMNA (0.72) LMNAKMT2AMAPTHTTNPC1
SCHEMBL6604518 0.86 LMNA (0.60) BCHELMNAKMT2AMAPTHTT
SCHEMBL6604233 0.86 MAPT (0.54) LMNAKMT2AMAPTHTTRAB9A
SCHEMBL6603957 0.85 LMNA (0.50) BCHELMNAKMT2AMAPTHTT
SCHEMBL6604362 0.84 CYP2E1 (0.55) LMNAKMT2AMAPTHTTNPC1

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