SCHEMBL9192173

SCHEMBL9192173

CCc1cnc(C(=O)O)c(C(=O)NC(C)(C(N)=O)C(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CNR2 P34972 1/20 0.37
PARP1 P09874 1/20 0.35
VCP P55072 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 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
SCHEMBL10410155 0.91 CNR2 (0.37) KDM4EALDH1A1CNR2PARP1VCP
SCHEMBL10410420 0.85 CNR2 (0.38) KDM4EALDH1A1CNR2PARP1VCP
SCHEMBL2338995 0.81 CNR2 (0.36) KDM4EALDH1A1CNR2
SCHEMBL20180706 0.80 CNR2 (0.38) KDM4EALDH1A1CNR2
SCHEMBL10583284 0.79 CNR2 (0.35) KDM4EALDH1A1CNR2
SCHEMBL9218122 0.78 F2 (0.35) KDM4EALDH1A1CNR2
SCHEMBL9369711 0.77 PARP1 (0.35) PARP1VCPGABRPGABRDGABRA1
SCHEMBL19884277 0.76 CNR2 (0.36) KDM4EALDH1A1CNR2
SCHEMBL10410349 0.75 CNR2 (0.36) KDM4EALDH1A1CNR2PARP1GABRP
SCHEMBL351540 0.73 GABRP (0.46) KDM4EALDH1A1PARP1GABRPGABRD

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-0584470-B1 Process for the preparation of 2,3-pyridinedicarboxylic acids from 3-(2-imidazolin-2-yl)picolinic acids AMERICAN CYANAMID CO (US) 1995-08-16 EP disclosed
EP-0584470-A1 Process for the preparation of 2,3-pyridinedicarboxylic acids from 3-(2-imidazolin-2-yl)picolinic acids AMERICAN CYANAMID COMPANY (US) 1994-03-02 EP disclosed
US-5250694-A Process for the preparation of 2,3-pyridine-dicarboxylic acids from 3-(2-imidazolin-2-yl)picolinic acids AMERICAN CYANAMID COMPANY (US) 1993-10-05 US disclosed