SCHEMBL9215299

SCHEMBL9215299

C=CCc1cnc(C(=O)OC(=O)c2ncc(CC=C)cc2C(=O)O)c(C(=O)O)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 2/20 0.33
PPARA Q07869 2/20 0.33
HCAR3 P49019 1/20 0.33
PTGS1 P23219 1/20 0.31
PTGDR Q13258 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
POLB P06746 1/20 0.30
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL6559821 0.88 KDM4E (0.37) GAATSHRSMN1; SMN2MEN1CYP3A4
SCHEMBL9630611 0.81 GABRP (0.42) TSHRSMN1; SMN2MEN1CYP3A4KMT2A
SCHEMBL10676049 0.81 SMN1; SMN2 (0.40) TSHRSMN1; SMN2MEN1CYP3A4KMT2A
SCHEMBL9317147 0.80 ALDH1A1 (0.33) KDM4EPOLB
SCHEMBL9217725 0.77 RAB9A (0.43) GAATSHRSMN1; SMN2MEN1KMT2A
SCHEMBL4714308 0.73 KLKB1 (0.40) KMT2AL3MBTL1PPARA
SCHEMBL2805203 0.73 MGAM (0.40) MEN1KMT2AL3MBTL1KDM4EHSD17B10
SCHEMBL8660093 0.71 ALDH1A1 (0.40) GAATSHRSMN1; SMN2CYP3A4L3MBTL1
SCHEMBL9589132 0.71 GABRP (0.40) GAAMEN1KMT2AKDM4EHSD17B10
SCHEMBL29619789 0.71 DHODH (0.44) GAATSHRSMN1; SMN2CYP3A4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0254951-B1 5(and/or 6)substituted 2-(2-imidazolin-2-yl)nicotinic acids, esters and salts, useful as herbicidal agents and intermediates for the preparation of said nicotinic acids, esters and salts AMERICAN CYANAMID CO (US) 1995-09-20 EP disclosed
US-5334576-A Pre- and postemergence AMERICAN CYANAMID COMPANY (US) 1994-08-02 US disclosed
EP-0254951-A2 5(and/or 6)substituted 2-(2-imidazolin-2-yl)nicotinic acids, esters and salts, useful as herbicidal agents and intermediates for the preparation of said nicotinic acids, esters and salts AMERICAN CYANAMID COMPANY (US) 1988-02-03 EP disclosed