SCHEMBL6603943

SCHEMBL6603943

Cn1c(SCCCCCOc2ccccn2)nc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 4/20 0.53
▸ POLB P06746 1/20 0.49
▸ ATM Q13315 1/20 0.47
▸ PTGDR2 Q9Y5Y4 4/20 0.47
▸ NPC1 O15118 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ PDE10A Q9Y233 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
SCHEMBL6607139 0.82 PTGDR2 (0.51) POLBATMPTGDR2MAPTRAB9A
SCHEMBL18453732 0.81 POLB (0.60) ARPOLBATMPTGDR2NPC1
SCHEMBL7862574 0.76 POLB (0.66) ARPOLBATMPTGDR2NPC1
SCHEMBL20892555 0.75 POLB (0.53) ARPOLBATMPTGDR2NPC1
SCHEMBL20545506 0.74 PTGDR2 (0.58) ARPOLBPTGDR2NPC1MAPT
SCHEMBL12195240 0.72 AR (0.69) ARPOLBPTGDR2MAPTRAB9A
SCHEMBL20545517 0.71 ALDH1A1 (0.54) POLBPTGDR2MAPTALDH1A1LMNA
SCHEMBL6604484 0.71 BCHE (0.58) ARNPC1MAPTRAB9ACYP1A2
SCHEMBL6604274 0.71 BCHE (0.58) ARNPC1MAPTRAB9ACYP1A2
SCHEMBL6603620 0.71 BCHE (0.58) ARNPC1MAPTRAB9ACYP1A2

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
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