SCHEMBL9806876

SCHEMBL9806876

CC1=C(C(=O)O)C(c2ccccn2)C(C(=O)O)=C(C)N1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.71
HSD17B10 Q99714 4/20 0.71
CASP1 P29466 3/20 0.68
ALDH1A1 P00352 5/20 0.50
CASP7 P55210 1/20 0.47
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 1/20 0.44
CACNA1B Q00975 3/20 0.43
ALOX15 P16050 1/20 0.42
LMNA P02545 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
P4HTM Q9NXG6 1/20 0.42

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
SCHEMBL7160175 0.90 KDM4E (0.90) KDM4EHSD17B10CASP1ALDH1A1CASP7
SCHEMBL7266705 0.88 KDM4E (0.90) KDM4EHSD17B10CASP1ALDH1A1CASP7
SCHEMBL7272456 0.87 KDM4E (0.67) KDM4EHSD17B10CASP1ALDH1A1CASP7
SCHEMBL7265381 0.86 KDM4E (0.55) KDM4EHSD17B10CASP1ALDH1A1CASP7
SCHEMBL7266460 0.86 KDM4E (0.55) KDM4EHSD17B10CASP1ALDH1A1CASP7
SCHEMBL7267832 0.85 HSD17B10 (0.54) KDM4EHSD17B10CASP1ALDH1A1CASP7
SCHEMBL11681059 0.84 KDM4E (0.62) KDM4EHSD17B10CASP1ALDH1A1CASP7
SCHEMBL7265761 0.84 KDM4E (0.70) KDM4EHSD17B10CASP1ALDH1A1CACNA1B
SCHEMBL11681065 0.84 KDM4E (0.70) KDM4EHSD17B10CASP1ALDH1A1CASP7
SCHEMBL7160171 0.83 KDM4E (1.00) KDM4EHSD17B10CASP1ALDH1A1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1261348-A Dihydropyridine derivatives AJINOMTO CO INC (JP) 2000-07-26 CN disclosed
US-5064839-A Vasodilators, coronary disorders, hypotensive BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1991-11-12 US disclosed
US-4771057-A TREATMENT OF ANGINA, ARRHYTHMIAS, CEREBRALVASCULAR DISEASE AND HYPERTENSION UNIVERSITY OF ALBERTA (CA) 1988-09-13 US disclosed
EP-0239186-A1 Antihypertensive reduced pyridyl derivatives The Governors of the University of Alberta (CA) 1987-09-30 EP disclosed