SCHEMBL9630611

SCHEMBL9630611

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 0.42
GABRD O14764 3/20 0.42
GABRA1 P14867 3/20 0.42
GABRB1 P18505 3/20 0.42
GABRG2 P18507 3/20 0.42
GABRB3 P28472 3/20 0.42
GABRA5 P31644 3/20 0.42
GABRA3 P34903 3/20 0.42
GABRA2 P47869 3/20 0.42
GABRB2 P47870 3/20 0.42
GABRA4 P48169 3/20 0.42
GABRE P78334 3/20 0.42
GABRA6 Q16445 3/20 0.42
GABRG1 Q8N1C3 3/20 0.42
GABRG3 Q99928 3/20 0.42
GABRQ Q9UN88 3/20 0.42
DHODH Q02127 1/20 0.40
PARP1 P09874 1/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL10676049 0.89 SMN1; SMN2 (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28965796 0.89 DHODH (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29619789 0.89 DHODH (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL351540 0.88 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28983540 0.87 CYP2C9 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30924884 0.87 CYP2C9 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3086351 0.86 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3086345 0.86 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9317147 0.85 ALDH1A1 (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9632787 0.85 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112142713-A Synthesis method of imazethapyr 山东润博生物科技有限公司 2020-12-29 CN claimed
CN-112142713-A Synthesis method of imazethapyr 山东润博生物科技有限公司 2020-12-29 CN disclosed
CN-102453022-B Method for preparing imazethapyr SINOCHEN CORP 2013-09-11 CN disclosed
CN-102453022-A Preparation method of imazethapyr SINOCHEN CORP 2012-05-16 CN disclosed
US-5098462-A Herbicides SANDOZ LTD. (CH) 1992-03-24 US disclosed
US-5098466-A Herbicides SANDOZ LTD. (CH) 1992-03-24 US disclosed
US-4748244-A HERBICIDE INTERMEDIATES CIBA-GEIGY CORPORATION (US) 1988-05-31 US disclosed