SCHEMBL7532670

SCHEMBL7532670

Oc1cc(OCc2ccccc2)ccc1-n1nc2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGS2 P35354 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
MAOB P27338 5/20 0.49
ALOX5 P09917 1/20 0.47
CYP3A4 P08684 2/20 0.47
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 2/20 0.45
HSP90AA1 P07900 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45

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
SCHEMBL7525085 0.89 MAOB (0.48) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL8997629 0.88 FFAR1 (0.43) LMNAMAOBNPC1RAB9A
SCHEMBL8428113 0.86 MAPT (0.41) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL6474039 0.85 NPC1 (0.45) LMNAMAOBMAPTKDM4EMAPK1
SCHEMBL16412543 0.84 KDM4E (0.52) LMNAMAPTNPSR1KDM4EMAPK1
SCHEMBL9154940 0.84 NPC1 (0.44) LMNACYP1A2CYP2C19MAOBMAPT
SCHEMBL8854056 0.84 NPC1 (0.44) LMNAMAOBMAPTKDM4ETDP1
SCHEMBL29510512 0.84 KDM4E (0.52) LMNAMAPTNPSR1KDM4EMAPK1
SCHEMBL9504045 0.83 PTPN7 (0.50) LMNAMAPTKDM4ETDP1NPC1
SCHEMBL8913712 0.83 NPC1 (0.43) LMNAMAPTNPSR1KDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661401-A2 Agent for treating textile materials NICCA CHEMICAL CO., LTD. (JP) 1995-07-05 EP claimed
EP-0661401-B1 Agent for treating textile materials NICCA CHEMICAL CO (JP) 2002-03-20 EP disclosed
US-5516436-A Agent for treating textile materials NICCA CHEMICAL CO., LTD. (JP) 1996-05-14 US disclosed
EP-0661401-A2 Agent for treating textile materials NICCA CHEMICAL CO., LTD. (JP) 1995-07-05 EP disclosed