SCHEMBL10354535

SCHEMBL10354535

Cc1c(C(=O)O)cc(Cl)c(N)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
TDP1 Q9NUW8 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
CYP3A4 P08684 1/20 0.44
GPR35 Q9HC97 1/20 0.39
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
CASP1 P29466 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HAVCR2 Q8TDQ0 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38

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
SCHEMBL2335066 0.85 KDM4E (0.53) KDM4ETDP1KMT2AMEN1CYP3A4
SCHEMBL27281805 0.85 KDM4E (0.48) KDM4ETDP1KMT2AMEN1CYP3A4
SCHEMBL28828282 0.83 KDM4E (0.47) KDM4ETDP1KMT2AMEN1CYP3A4
SCHEMBL7863941 0.82 MEN1 (0.44) KDM4ETDP1KMT2AMEN1CYP3A4
SCHEMBL951003 0.81 KDM4E (0.48) KDM4ETDP1KMT2AMEN1CYP3A4
SCHEMBL10625931 0.81 CYP3A4 (0.48) KDM4ETDP1KMT2AMEN1CYP3A4
SCHEMBL4314431 0.78 KDM4E (0.50) KDM4ETDP1KMT2AMEN1CYP3A4
SCHEMBL28883530 0.78 AKR1C2 (0.52) KDM4ETDP1KMT2AMEN1CYP3A4
SCHEMBL691741 0.78 AKR1C2 (0.52) KDM4ETDP1KMT2AMEN1TSHR
SCHEMBL27754447 0.77 CYP3A4 (0.44) KDM4ETDP1KMT2AMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0230532-B1 2-[(3,5-Dihalo-4-Aminobenzyl)] Imidazolines ABBOTT LABORATORIES (US) 1990-09-26 EP disclosed
EP-0230532-A1 2-[(3,5-Dihalo-4-Aminobenzyl)] Imidazolines ABBOTT LABORATORIES (US) 1987-08-05 EP disclosed
US-4665095-A Use of 2-[(3,5-dihalo-4-aminobenzyl)]imidazolines to stimulate alpha-1 adrenergic receptors and to treat nasal congestion ABBOTT LABORATORIES (US) 1987-05-12 US disclosed
EP-0107306-B1 IMIDAZOLINE DERIVATIVES BEECHAM GROUP PLC (GB) 1986-04-30 EP disclosed
US-4505926-A GASTROINTESTINAL DISORDERS ANTIDIARRHEA BEECHAM GROUP P.L.C. (GB) 1985-03-19 US disclosed
EP-0107306-A1 Imidazoline derivatives BEECHAM GROUP PLC (GB) 1984-05-02 EP disclosed