SCHEMBL7333318

SCHEMBL7333318

CCCCCCCCc1ccc(NC(=O)NN)cc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.68
CA1 P00915 2/20 0.68
CA2 P00918 2/20 0.68
CA9 Q16790 2/20 0.68
S1PR1 P21453 1/20 0.64
THRA P10827 3/20 0.62
THRB P10828 3/20 0.62
SPHK1 Q9NYA1 11/20 0.62
EPHX1 P07099 1/20 0.61
EPHX2 P34913 1/20 0.61
SPHK2 Q9NRA0 1/20 0.59

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
SCHEMBL15093620 0.90 CA12 (0.76) CA12CA1CA2CA9S1PR1
SCHEMBL11349336 0.90 CA12 (0.76) CA12CA1CA2CA9S1PR1
SCHEMBL15094111 0.90 CA12 (0.76) CA12CA1CA2CA9S1PR1
SCHEMBL15093871 0.90 CA12 (0.76) CA12CA1CA2CA9S1PR1
SCHEMBL11352018 0.90 CA12 (0.76) CA12CA1CA2CA9S1PR1
SCHEMBL11353893 0.90 CA12 (0.76) CA12CA1CA2CA9S1PR1
SCHEMBL15093429 0.90 CA12 (0.76) CA12CA1CA2CA9S1PR1
SCHEMBL27905675 0.90 CA12 (0.76) CA12CA1CA2CA9S1PR1
SCHEMBL11361435 0.90 CA12 (0.76) CA12CA1CA2CA9S1PR1
SCHEMBL15093703 0.89 CA12 (0.73) CA12CA1CA2CA9S1PR1

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
EP-0788511-B1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO (JP) 2002-12-11 EP disclosed
US-6265536-B1 MICROBIOCIDE AND FUNGICIDE WHICH IS INHIBITOR OF BETA-1,3-GLUCAN SYNTHASE; TREATMENT OF PNEUMOCYSTIS CARINII INFECTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-07-24 US disclosed
US-6107458-A FUNGICIDE WHICH IS BETA-1,3-GLYCAN SYNTHASE INHIBITOR; FOR PROPHYLAXIS AND TREATMENT OF PNEUMOCYSTIS CARINII INFECTIONS LIKE PNEUMONIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-22 US disclosed
EP-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 EP disclosed
WO-1996011210-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-18 WO disclosed