SCHEMBL9144151

SCHEMBL9144151

Cc1cccc2c1nc(S)n2C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
ALKBH5 Q6P6C2 1/20 0.39
FTO Q9C0B1 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PDE10A Q9Y233 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MEN1 O00255 1/20 0.37
HCRTR1 O43613 1/20 0.37
KMT2A Q03164 1/20 0.37
PKM P14618 1/20 0.36
AURKA O14965 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HTR3A P46098 1/20 0.33

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
SCHEMBL14957163 0.98 TLR8 (0.42) TLR8CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL353025 0.80 CYP1A2 (0.59) TLR8CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2541919 0.77 TLR8 (0.58) TLR8CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9753219 0.77 TLR8 (0.43) TLR8CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14958066 0.77 PDE3B (0.35) ALDH1A1HSD17B10RAB9AMEN1KMT2A
SCHEMBL14957158 0.76 PDE3B (0.34) ALDH1A1HSD17B10RAB9AMEN1KMT2A
SCHEMBL20434120 0.75 CYP1A2 (0.30) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL7016334 0.75 ELANE (0.46) HSD17B10NPC1RAB9AMEN1HCRTR1
SCHEMBL1104838 0.74 TLR7 (0.53) TLR8CYP3A4ALKBH5FTOALDH1A1
SCHEMBL8013150 0.74 TLR8 (0.41) TLR8CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962720-B2 Rubber composition for golf ball BRIDGESTONE SPORTS CO., LTD. (JP) 2015-02-24 US disclosed
US-20130131236-A1 RUBBER COMPOSITION FOR GOLF BALL BRIDGESTONE CORPORATION (JP) 2013-05-23 US disclosed
US-RE35135-E Dental material; mixture of radical-polymerizable monomer, alpha-ketocarbonyl and aromatic amine MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1995-12-26 US disclosed
US-5091033-A ADHESIVE FOR CERAMICS AND PROCESSES FOR THE BONDING OF CERAMICS USING SAME MITSUI SEKIYU KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1992-02-25 US disclosed
EP-0136186-B1 PHOTOCURABLE RESIN COMPOSITION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-09-06 EP disclosed
EP-0252603-A2 Adhesives for ceramics and processes for the bonding of ceramics using same MITSUI SEKIYU KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-01-13 EP disclosed
US-4548689-A RADICAL POLYMERIZABLE MONOMER, KETOCARBONYL COMPOUND AND MERCAPTOB MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1985-10-22 US disclosed
EP-0136186-A2 Photocurable resin composition MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1985-04-03 EP disclosed