SCHEMBL9181791

SCHEMBL9181791

[CH2]c1ccc(C2=NCCO2)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
LTA4H P09960 1/20 0.42
LSS P48449 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
KCNN4 O15554 1/20 0.32
USP9X Q93008 1/20 0.32
SCARB1 Q8WTV0 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
SCHEMBL132013 0.89 KCNH2 (0.49) KCNH2HRH3LTA4HLSSSMN1; SMN2
SCHEMBL9475161 0.81 KCNH2 (0.44) KCNH2HRH3LTA4HLSSSMN1; SMN2
SCHEMBL10520360 0.81 KCNH2 (0.48) KCNH2HRH3LTA4HLSSSMN1; SMN2
SCHEMBL20410837 0.81 KCNH2 (0.44) KCNH2HRH3LTA4HLSSSMN1; SMN2
SCHEMBL1817200 0.79 LSS (0.51) KCNH2HRH3LTA4HLSS
SCHEMBL20410952 0.79 KCNH2 (0.43) KCNH2HRH3LTA4HLSSSMN1; SMN2
SCHEMBL5464687 0.79 NPC1 (0.43) KCNH2HRH3LTA4HLSSSMN1; SMN2
SCHEMBL1856955 0.79 NPC1 (0.43) KCNH2HRH3LTA4HLSSSMN1; SMN2
SCHEMBL17677999 0.79 KCNH2 (0.43) KCNH2HRH3LTA4HLSSSMN1; SMN2
SCHEMBL961792 0.79 KCNN4 (0.44) KCNH2HRH3LTA4HSMN1; SMN2KCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0397276-B1 Functionalized elastomeric polymers SHELL INT RESEARCH (NL) 1995-07-26 EP claimed
US-5015695-A Producing heat-curable elastomer from elastomer with two or more pendant carboxylates and propargyl, styrylmethyl or 4-/2-oxazolinyl/benzyl halide in polar diluent SHELL OIL COMPANY (US) 1991-05-14 US claimed
US-4978719-A HAVING PENDANT CARBOXYLIC ACID ESTER GROUP WITH REACTIVE UNSATURATION; SUCH AS PROPARGYL, STYRYLMETHYL OR 4-/2-OXAZO-LINYL/BENZYL; SELF-CURING SHELL OIL COMPANY (US) 1990-12-18 US claimed
EP-0397276-A2 Functionalized elastomeric polymers SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-11-14 EP claimed
CN-1041422-C Process of producing functionalized elastomeric polymers SHELL INT RESEARCH (NL) 1998-12-30 CN disclosed
EP-0397276-B1 Functionalized elastomeric polymers SHELL INT RESEARCH (NL) 1995-07-26 EP disclosed
EP-0450694-B1 Process of producing functionalized elastomeric polymers SHELL INT RESEARCH (NL) 1995-06-07 EP disclosed
US-5206300-A Blends with engineering thermoplastics SHELL OIL COMPANY (US) 1993-04-27 US disclosed
CN-1055744-A Make the method for functionalized elastomeric polymers SHELL INT RESEARCH (NL) 1991-10-30 CN disclosed
EP-0450694-A2 Process of producing functionalized elastomeric polymers SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-10-09 EP disclosed
US-5015695-A Producing heat-curable elastomer from elastomer with two or more pendant carboxylates and propargyl, styrylmethyl or 4-/2-oxazolinyl/benzyl halide in polar diluent SHELL OIL COMPANY (US) 1991-05-14 US disclosed
US-4978719-A HAVING PENDANT CARBOXYLIC ACID ESTER GROUP WITH REACTIVE UNSATURATION; SUCH AS PROPARGYL, STYRYLMETHYL OR 4-/2-OXAZO-LINYL/BENZYL; SELF-CURING SHELL OIL COMPANY (US) 1990-12-18 US disclosed
EP-0397276-A2 Functionalized elastomeric polymers SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-11-14 EP disclosed