SCHEMBL7879847

SCHEMBL7879847

Cn1c(C(=O)O)cc2cccc(C(=O)O)c21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.57
DHODH Q02127 1/20 0.46
HSD17B10 Q99714 4/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 3/20 0.45
GPR35 Q9HC97 1/20 0.45
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FDPS P14324 1/20 0.43
GFER P55789 1/20 0.43
DAO P14920 1/20 0.42
PTPN1 P18031 1/20 0.41
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL3229944 0.83 MCL1 (0.57) MCL1HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL16899525 0.83 DHODH (0.49) MCL1DHODHHSD17B10ALDH1A1KDM4E
SCHEMBL10233030 0.83 MCL1 (0.57) MCL1HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL5600801 0.81 MCL1 (0.56) MCL1HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL689437 0.81 MCL1 (0.56) MCL1HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL3258061 0.81 MCL1 (0.56) MCL1HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL13456549 0.81 MCL1 (0.56) MCL1HSD17B10ALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL3559968 0.80 MCL1 (0.54) MCL1HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL688803 0.79 MCL1 (0.53) MCL1HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL689571 0.79 MCL1 (0.53) MCL1HSD17B10ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248772-B1 HYPOTENSIVE AGENTS; ANTIARRHYTHMIA AGENTS; ANTIDIABETIC AGENTS; ANTIPROLIFERATIVE AGENTS SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2001-06-19 US disclosed
US-6169107-B1 USEFUL FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY INCREASED SODIUM/PROTON (NA.SUP.+ /H.SUP.+) EXCHANGER ACTIVITY, FOR EXAMPLE, HYPERTENSION, ARRHYTHMIA, ANGINA PECTORIS, CARDIAC HYPERTROPHY, DIABETES MELLITUS SUMITOMO PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
EP-0622356-B1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMA (JP) 1998-07-01 EP disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed
EP-0622356-A1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-02 EP disclosed