SCHEMBL3084593

SCHEMBL3084593

c1ccc2[nH]c(CCSSCCc3nc4ccccc4[nH]3)nc2c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.70
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
DDAH1 O94760 1/20 0.59
CHRM1 P11229 1/20 0.58
PDE10A Q9Y233 2/20 0.57
GAA P10253 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
EGLN3 Q9H6Z9 1/20 0.55
BCHE P06276 2/20 0.55

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
SCHEMBL32660142 1.00 POLB (0.70) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL3069740 0.89 POLB (0.70) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL230157 0.86 POLB (0.84) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL24998858 0.86 POLB (0.66) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL19049356 0.86 POLB (0.66) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL7006523 0.82 POLB (1.00) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL7854448 0.82 POLB (0.92) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL3065316 0.81 SMN1; SMN2 (0.69) POLBNPC1RAB9ADDAH1GAA
SCHEMBL7856315 0.81 POLB (0.96) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL7856311 0.81 POLB (0.96) POLBNPC1RAB9ADDAH1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116568740-A Method for producing a composite material having an elastomer, a filler and a connecting agent 超越莲花有限责任公司 2023-08-08 CN disclosed
US-9546232-B2 Rubber composition, and pneumatic tire using same BRIDGESTONE CORPORATION (JP) 2017-01-17 US disclosed
US-20150353657-A1 RUBBER COMPOSITION, AND PNEUMATIC TIRE USING SAME OTSUKA CHEMICAL CO., LTD. (JP) 2015-12-10 US disclosed
US-7833331-B2 Non-toxic corrosion-protection pigments based on cobalt UNIVERSITY OF DAYTON (US) 2010-11-16 US disclosed
US-7789958-B2 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON (US) 2010-09-07 US disclosed
US-20090163628-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON COBALT STURGILL JEFFREY ALLEN 2009-06-25 US disclosed
US-7422793-B2 Non-toxic corrosion-protection rinses and seals based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-09-09 US disclosed
US-7294211-B2 Non-toxic corrosion-protection conversion coats based on cobalt UNIVERSITY OF DAYTON (US) 2007-11-13 US disclosed
US-7291217-B2 Non-toxic corrosion-protection pigments based on rare earth elements UNIVERSITY OF DAYTON (US) 2007-11-06 US disclosed
US-20070149673-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE STURGILL JEFFREY A 2007-06-28 US disclosed
US-7235142-B2 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON (US) 2007-06-26 US disclosed
EP-1472319-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2004-11-03 EP disclosed
WO-2004065305-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE UNIVERSITY OF DAYTON (US) 2004-08-05 WO disclosed
US-20040104377-A1 Non-toxic corrosion-protection pigments based on rare earth elements UNIVERSITY OF DAYTON 2004-06-03 US disclosed
US-20040016910-A1 Non-toxic corrosion-protection rinses and seals based on rare earth elements DAYTON, UNIVERSITY OF 2004-01-29 US disclosed
US-20040011252-A1 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON 2004-01-22 US disclosed
US-20030234063-A1 Non-toxic corrosion-protection conversion coats based on cobalt DAYTON, UNIVERSITY OF 2003-12-25 US disclosed
US-20030230363-A1 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON 2003-12-18 US disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed