SCHEMBL9229239

SCHEMBL9229239

CCCc1cc(CCC)c2[nH]ncc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.37
PIM1 P11309 3/20 0.37
GSK3B P49841 3/20 0.37
JAK2 O60674 2/20 0.37
AURKB Q96GD4 2/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
CHEK2 O96017 1/20 0.37
CDK2 P24941 1/20 0.37
MARK3 P27448 1/20 0.37
GSK3A P49840 1/20 0.37
LIMK1 P53667 1/20 0.37
CDK5 Q00535 1/20 0.37
ROCK1 Q13464 1/20 0.37
DYRK1A Q13627 1/20 0.37
PRKD2 Q9BZL6 1/20 0.37
DHFR P00374 3/20 0.34
TRPA1 O75762 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
PRKCQ Q04759 1/20 0.32

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
SCHEMBL24264863 0.92 TRPA1 (0.39) ROCK2PIM1GSK3BJAK2AURKB
SCHEMBL9224586 0.87 ADORA3 (0.38) ADORA3
SCHEMBL9226687 0.84 TLR8 (0.42)
SCHEMBL9222771 0.79 TRPA1 (0.39) DHFRTRPA1RXRARXRBRXRG
SCHEMBL24249558 0.74 NOS1 (0.50) AURKADAPK3CDK2CDK5ROCK1
SCHEMBL21335718 0.73 TRPA1 (0.42) ROCK2TRPA1ADORA3MAPT
SCHEMBL18188190 0.72 JAK2 (0.34) ROCK2PIM1GSK3BJAK2AURKB
SCHEMBL18301334 0.72 MAPKAPK2 (0.37) ROCK2ADORA3
SCHEMBL8220180 0.70 ROCK2 (0.54) ROCK2PIM1GSK3BJAK2AURKB
SCHEMBL9226826 0.69 NPC1 (0.31) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017160361-A1 POLYISOCYANURATE CATALYSTS FOR METAL PANELS AND SPRAY FOAMS HUNTSMAN PETROCHEMICAL LLC (US) 2017-09-21 WO claimed
WO-2017160361-A1 POLYISOCYANURATE CATALYSTS FOR METAL PANELS AND SPRAY FOAMS HUNTSMAN PETROCHEMICAL LLC (US) 2017-09-21 WO disclosed
EP-0520012-B1 IMPROVED MULTIFUNCTIONAL VISCOSITY INDEX IMPROVER-DISPERSANT ANTIOXIDANT (PT-789) EXXON CHEMICAL PATENTS INC (US) 1995-02-15 EP disclosed
US-5376152-A Heterocyclic nitrogen compound mannich base derivatives of polyolefin-substituted amines for oleaginous compositions EXXON CHEMICAL PATENTS INC. (US) 1994-12-27 US disclosed
US-5376153-A Oil additive; dispersant, oxidation and wear resistance, flow control agent EXXON CHEMICAL PATENTS INC. (US) 1994-12-27 US disclosed
EP-0518949-B1 NOVEL HETEROCYCLIC NITROGEN COMPOUND MANNICH BASE DERIVATIVES OF AMINO-SUBSTITUTED POLYMERS FOR OLEAGINOUS COMPOSITIONS EXXON CHEMICAL PATENTS INC (US) 1994-06-22 EP disclosed
US-5273671-A Reaction product of ethylene/alpha-olefin copolymer, polyamine, aldehyde and a benzotriazole or benzimidazole EXXON CHEMICAL PATENTS INC. (US) 1993-12-28 US disclosed
US-5271856-A Heterocyclic nitrogen compound Mannich base derivatives of amino-substituted polymers for oleaginous compositions EXXON CHEMICAL PATENTS INC. (US) 1993-12-21 US disclosed
US-5232615-A Reacting an amine with halogenated polyolefin to form adduct and contacting adduct with an aldehyde and a heterocyclic reactant to form an oil soluble, oxidation resistance dispersant for fuels EXXON CHEMICAL PATENTS INC. (US) 1993-08-03 US disclosed
US-5211865-A Oil soluble ethylene copolymer with alpha-olefin and grafted carboxylic acid and anhydride with polyamine, an anhydride and heterocycle EXXON CHEMICAL PATENTS INC. (US) 1993-05-18 US disclosed
EP-0520012-A1 IMPROVED MULTIFUNCTIONAL VISCOSITY INDEX IMPROVER-DISPERSANT ANTIOXIDANT (PT-789). EXXON CHEMICAL PATENTS INC (US) 1992-12-30 EP disclosed
EP-0518949-A1 NOVEL HETEROCYCLIC NITROGEN COMPOUND MANNICH BASE DERIVATIVES OF AMINO-SUBSTITUTED POLYMERS FOR OLEAGINOUS COMPOSITIONS. EXXON CHEMICAL PATENTS INC (US) 1992-12-23 EP disclosed
WO-1991013954-A1 NOVEL HETEROCYCLIC NITROGEN COMPOUND MANNICH BASE DERIVATIVES OF AMINO-SUBSTITUTED POLYMERS FOR OLEAGINOUS COMPOSITIONS EXXON CHEMICAL PATENTS INC. (US) 1991-09-19 WO disclosed
WO-1991013952-A1 IMPROVED MULTIFUNCTIONAL VISCOSITY INDEX IMPROVER-DISPERSANT ANTIOXIDANT (PT-789) EXXON CHEMICAL PATENTS INC. (US) 1991-09-19 WO disclosed