SCHEMBL1475536

SCHEMBL1475536

CCCCc1ccc(Nc2c(C#N)c(C#N)c(Nc3ccc(CCCC)cc3)c3c2C(=O)c2c(Nc4ccc(CCCC)cc4)c(C#N)c(C#N)c(Nc4ccc(CCCC)cc4)c2C3=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ SENP8 Q96LD8 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ SENP6 Q9GZR1 1/20 0.48
▸ HSD17B10 Q99714 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ UNG P13051 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ FFAR1 O14842 1/20 0.40

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
SCHEMBL1476804 0.94 HPGD (0.44) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1476038 0.76 HPGD (0.50) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL48879 0.73 HPGD (0.58) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL14127779 0.73 HPGD (0.58) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL29699621 0.72 UNG (0.51) HPGDNPC1RAB9AALDH1A1L3MBTL1
SCHEMBL10875619 0.71 HPGD (0.42) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL13962364 0.71 UNG (0.53) NPC1RAB9AALDH1A1L3MBTL1NPSR1
SCHEMBL13856898 0.71 UNG (0.53) NPC1RAB9AALDH1A1L3MBTL1NPSR1
SCHEMBL9438202 0.70 BACE1 (0.49) HPGDSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL9129626 0.69 NPC1 (0.61) HPGDSMN1; SMN2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915048-B2 Adding 1,4-di-(2-ethylhexylamino)-5,8-dihydroxyanthraquinone-type dyes to liquid petroleum; combination of dyes for digitally coding/marking petroleum products; near-infrared absorption ROHM AND HAAS COMPANY (US) 2011-03-29 — — US disclosed
US-7635596-B2 adding to a lubricating oil a diaminoanhraquinone derivative provided that the compound has at least one substituent selected from among cyano, nitro, hydroxy, hydroxyalkyl, amide, carboxyl, ester and unsaturated alkyl; measuring spectroscopic property of the oil to determine degradation of such compound ROHM AND HAAS COMPANY (US) 2009-12-22 — — US disclosed
EP-1486554-B1 Method for marking hydrocarbons with substituted anthraquinones ROHM & HAAS (US) 2009-11-04 — — EP disclosed
EP-1672052-B1 Method for monitoring degradation of lubricating oils ROHM & HAAS (US) 2009-02-18 — — EP disclosed
EP-1479749-B1 Method for marking hydrocarbons with substituted anthraquinones ROHM & HAAS (US) 2007-01-03 — — EP disclosed
EP-1672052-A1 Method for monitoring degradation of lubricating oils Rohm and Haas Company (US) 2006-06-21 — — EP disclosed
US-20060128025-A1 adding to a lubricating oil a diaminoanhraquinone derivative provided that the compound has at least one substituent selected from among cyano, nitro, hydroxy, hydroxyalkyl, amide, carboxyl, ester and unsaturated alkyl; measuring spectroscopic property of the oil to determine degradation of such compound ROHM AND HAAS COMPANY 2006-06-15 — — US disclosed
US-6977177-B1 Method for marking hydrocarbons with substituted anthraquinones ROHM AND HAAS COMPANY (US) 2005-12-20 — — US disclosed
US-20050266572-A1 METHOD FOR MARKING HYDROCARBONS WITH SUBSTITUTED ANTHRAQUINONES ROHM AND HAAS COMPANY 2005-12-01 — — US disclosed
US-20040250469-A1 Method for marking hydrocarbons with substituted anthraquinones ROHM AND HAAS COMPANY 2004-12-16 — — US disclosed
EP-1486554-A1 Method for marking hydrocarbons with substituted anthraquinones Rohm and Haas Company (US) 2004-12-15 — — EP disclosed
EP-1479749-A1 Method for marking hydrocarbons with substituted anthraquinones Rohm and Haas Company (US) 2004-11-24 — — EP disclosed
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