SCHEMBL7209462

SCHEMBL7209462

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA9 Q16790 3/20 0.53
KDM4E B2RXH2 7/20 0.51
ALDH1A1 P00352 7/20 0.51
HPGD P15428 6/20 0.51
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
HSD17B10 Q99714 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 3/20 0.50
GAA P10253 2/20 0.50
GLA P06280 1/20 0.50
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 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
SCHEMBL29543705 1.00 CA12 (0.53) CA12CA1CA9KDM4EALDH1A1
SCHEMBL2230757 1.00 CA12 (0.53) CA12CA1CA9KDM4EALDH1A1
Hydrochloric Acid SCHEMBL380910 0.99 CA12 (0.52) CA12CA1CA9KDM4EALDH1A1
Hydrochloric Acid SCHEMBL5314266 0.99 CA12 (0.52) CA12CA1CA9KDM4EALDH1A1
Acetic Acid SCHEMBL30688431 0.97 CA12 (0.53) CA12CA1CA9KDM4EALDH1A1
Acetic Acid SCHEMBL5968184 0.97 CA12 (0.53) CA12CA1CA9KDM4EALDH1A1
SCHEMBL7208677 0.93 CA12 (0.47) CA12CA1CA9KDM4EALDH1A1
SCHEMBL29543910 0.93 CA12 (0.47) CA12CA1CA9KDM4EALDH1A1
SCHEMBL7208685 0.93 CA12 (0.47) CA12CA1CA9KDM4EALDH1A1
Hydrochloric Acid SCHEMBL29805418 0.93 CA12 (0.49) CA12CA1CA9KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57075958-A None JP disclosed
JP-54009273-A None JP disclosed
JP-57075956-A None JP disclosed
JP-53108974-A None JP disclosed
JP-63051400-A None JP disclosed
EP-0938675-B1 ANALYSIS OF CARBOHYDRATES AMERSHAM PLC (GB) 2003-05-07 EP disclosed
US-6294667-B1 SEPARATION OF THE FLUORESCENTLY LABELLED CARBOHYDRATE SUBSTANCES, BY VIRTUE OF THEIR DIFFERENT CHARGE-TO-MASS RATIOS OR OTHER FACTORS, ENABLING A LARGER NUMBER OF DIFFERENT LABELLED CARBOHYDRATE SUBSTANCES TO BE SEPARATED AMERSHAM INTERNATIONAL PLC 2001-09-25 US disclosed
EP-0938675-A1 ANALYSIS OF CARBOHYDRATES AMERSHAM INTERNATIONAL plc (GB) 1999-09-01 EP disclosed
WO-1998015829-A1 ANALYSIS OF CARBOHYDRATES AMERSHAM INTERNATIONAL PLC (GB) 1998-04-16 WO disclosed
JP-S6351400-A PEPTIDE DERIVATIVE DAI ICHI PURE CHEM CO LTD 1988-03-04 JP disclosed
JP-S5775958-A PEPTIDE COMPOUND TORII YAKUHIN KK 1982-05-12 JP disclosed
JP-S5775956-A PEPTIDE TORII YAKUHIN KK 1982-05-12 JP disclosed
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
US-4215047-A FLUOROGENIC SUBSTRATES FOR DETERMINING ENZYMATIC ACTIVITIES AJINOMOTO COMPANY INCORPORATED (JP) 1980-07-29 US disclosed
JP-S549273-A 7-ARGINYLAMONO-4-METHYLCOUMARIN AJINOMOTO CO INC 1979-01-24 JP 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
JP-S53108974-A 7-ARGINYLAMINO-4-METHYLCOUMARIN AJINOMOTO CO INC 1978-09-22 JP disclosed