SCHEMBL7434293

SCHEMBL7434293

CCc1c(C(=O)O)c2ccccc2[nH]c1=O

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.71
TDP1 Q9NUW8 1/20 0.71
ALDH1A1 P00352 7/20 0.54
HPGD P15428 7/20 0.54
HSD17B10 Q99714 5/20 0.51
RAB9A P51151 1/20 0.51
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
LMNA P02545 1/20 0.49

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
SCHEMBL2805779 0.83 KDM4E (1.00) KDM4ETDP1ALDH1A1HPGDHSD17B10
SCHEMBL29415434 0.83 KDM4E (1.00) KDM4ETDP1ALDH1A1HPGDHSD17B10
SCHEMBL14533466 0.80 RAB9A (0.60) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL8183478 0.80 SIRT1 (0.54) KDM4EALDH1A1HPGD
SCHEMBL6964299 0.79 KDM4E (0.57) KDM4ETDP1ALDH1A1HPGDHSD17B10
SCHEMBL10050059 0.79 KDM4E (0.77) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL4895906 0.79 KDM4E (0.72) KDM4ETDP1ALDH1A1HPGDHSD17B10
SCHEMBL30602834 0.79 KDM4E (0.57) KDM4ETDP1ALDH1A1HPGDHSD17B10
SCHEMBL15782866 0.78 KDM4E (0.63) KDM4ETDP1ALDH1A1HPGDHSD17B10
SCHEMBL29950909 0.78 KDM4E (1.00) KDM4ETDP1ALDH1A1HPGDHSD17B10

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-0458636-B1 Antiemetic and migraine suppressing heterocyclic compounds and pharmaceutical compositions containing them KYOWA HAKKO KOGYO KK (JP) 1995-07-12 EP disclosed
US-5248684-A CERTAIN 2-OXO-QUINOLINE CARBOXYLATES OR CORRESPONDING CARBOXAMIDES USEFUL AS ANTI-EMETICS AND SUPPRESSANTS OF MIGRAINE KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-09-28 US disclosed
EP-0458636-A1 Antiemetic and migraine suppressing heterocyclic compounds and pharmaceutical compositions containing them KYOWA HAKKO KOGYO CO., LTD (JP) 1991-11-27 EP disclosed