SCHEMBL7330856

SCHEMBL7330856

CCCCCc1ccc(-c2ccc(C=CC(=O)n3n[n+]([O-])c4ccccc43)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 2/20 0.44
RAB9A P51151 2/20 0.44
CASP3 P42574 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
CYSLTR2 Q9NS75 5/20 0.43
CYSLTR1 Q9Y271 5/20 0.43
TRPM2 O94759 2/20 0.42
PLA2G1B P04054 2/20 0.42
TRPA1 O75762 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
RARB P10826 5/20 0.39
MEN1 O00255 1/20 0.38
RARA P10276 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL7330853 1.00 ALDH1A1 (0.44) ALDH1A1KDM4ENPC1HPGDRAB9A
SCHEMBL7331999 0.99 ALDH1A1 (0.43) ALDH1A1KDM4ENPC1HPGDRAB9A
SCHEMBL7331993 0.99 ALDH1A1 (0.43) ALDH1A1KDM4ENPC1HPGDRAB9A
SCHEMBL7338855 0.87 MEN1 (0.42) NPC1RAB9ARARBMEN1KMT2A
SCHEMBL7333492 0.86 MEN1 (0.43) NPC1RAB9AMEN1KMT2AHDAC1
SCHEMBL7333498 0.86 MEN1 (0.43) NPC1RAB9AMEN1KMT2AHDAC1
SCHEMBL7342495 0.83 RARB (0.42) ALDH1A1NPC1RAB9ARARBMEN1
SCHEMBL7282492 0.82 BCHE (0.44) NPC1RAB9AMEN1KMT2A
SCHEMBL7282464 0.82 BCHE (0.44) NPC1RAB9AMEN1KMT2A
SCHEMBL7340126 0.82 RARB (0.49) ALDH1A1PLA2G1BRARBMEN1RARA

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
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
WO-1996011210-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-18 WO disclosed