SCHEMBL11345929

SCHEMBL11345929

Cc1cc(=O)oc2cc(NC(=O)C(CCCNC(=N)N)NC(=O)CN)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.49
ALDH1A1 P00352 9/20 0.49
HPGD P15428 7/20 0.49
HSD17B10 Q99714 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 2/20 0.48
GLA P06280 1/20 0.48
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA9 Q16790 3/20 0.48
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
TDP1 Q9NUW8 3/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46

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
SCHEMBL29455322 1.00 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL7574189 1.00 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL11346583 0.99 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL30510955 0.95 CA12 (0.48) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL14941064 0.95 CA12 (0.48) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL5269925 0.90 TDP1 (0.48) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL7208677 0.90 CA12 (0.47) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL30149754 0.90 TDP1 (0.48) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL7208685 0.90 CA12 (0.47) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL29543910 0.90 CA12 (0.47) KDM4EALDH1A1HPGDHSD17B10MEN1

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-0000063-B1 DIPEPTIDE DERIVATIVES OF 7-(N-ALPHA-SUBSTITUTED OR NON-SUBSTITUTED X-ARGINYL)-AMINO-4-METHYL-COUMARIN AJINOMOTO CO., INC. (JP) 1981-06-10 EP disclosed
US-4215047-A FLUOROGENIC SUBSTRATES FOR DETERMINING ENZYMATIC ACTIVITIES AJINOMOTO COMPANY INCORPORATED (JP) 1980-07-29 US disclosed
EP-0000063-A1 Dipeptide derivatives of 7-(N-alpha-substituted or non-substituted X-arginyl)-amino-4-methyl-coumarin AJINOMOTO CO., INC. (JP) 1978-12-20 EP disclosed