SCHEMBL9316209

SCHEMBL9316209

C=Cc1cnc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
KDM4E B2RXH2 5/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
BLM P54132 1/20 0.40
AGER Q15109 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35

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
SCHEMBL2482488 0.83 KDM4E (0.41) KDM4ETSHRALDH1A1MAPTCYP3A4
SCHEMBL6559821 0.77 KDM4E (0.37) KDM4ETSHRALDH1A1MAPTCYP3A4
SCHEMBL8799390 0.75 KDM4E (0.44) KDM4ETSHRALDH1A1MAPTCYP3A4
SCHEMBL1171022 0.72 KDM4E (0.45) KDM4ETSHRALDH1A1MAPTCYP3A4
SCHEMBL19857472 0.72 KDM4E (0.45) KDM4ETSHRALDH1A1MAPTCYP3A4
SCHEMBL2486333 0.72 KDM4E (0.41) KDM4ETSHRALDH1A1MAPTCYP3A4
SCHEMBL1819716 0.71 GABRP (0.44) PARP1KDM4ETSHRALDH1A1MAPT
SCHEMBL353523 0.71 KDM4E (0.44) KDM4ETSHRALDH1A1MAPTCYP3A4
SCHEMBL9684853 0.71 ALDH1A1 (0.45) KDM4ETSHRALDH1A1MAPTCYP3A4
SCHEMBL617721 0.71 KDM4E (0.44) KDM4ETSHRALDH1A1MAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5334576-A Pre- and postemergence AMERICAN CYANAMID COMPANY (US) 1994-08-02 US disclosed
EP-0322616-A2 Novel 5(and/or 6)substituted 2-(2-imidazolin-2-yl)nicotinic acids, esters and salts, useful as herbicidal agents and nivel intermediates for the preparation of said nicotinic acids, esters and salts AMERICAN CYANAMID COMPANY (US) 1989-07-05 EP disclosed