SCHEMBL7334282

SCHEMBL7334282

CCCCCCCCCc1nc2ccc(C(=O)O)cc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.67
ALDH1A1 P00352 1/20 0.64
MAPK1 P28482 1/20 0.64
NPSR1 Q6W5P4 1/20 0.63
TDP1 Q9NUW8 2/20 0.56
HSP90AA1 P07900 1/20 0.56
ESR2 Q92731 1/20 0.56
TOP2A P11388 1/20 0.55
MAPT P10636 2/20 0.52
PKM P14618 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL5387954 1.00 APEX1 (0.67) APEX1ALDH1A1MAPK1NPSR1TDP1
SCHEMBL8906012 0.95 APEX1 (0.71) APEX1ALDH1A1MAPK1NPSR1TDP1
SCHEMBL7334277 0.90 APEX1 (0.53) APEX1ALDH1A1MAPK1NPSR1
SCHEMBL5387946 0.90 APEX1 (0.53) APEX1ALDH1A1MAPK1NPSR1
SCHEMBL3639896 0.89 APEX1 (0.74) APEX1ALDH1A1MAPK1NPSR1TDP1
Guanidine SCHEMBL8688512 0.89 APEX1 (0.55) APEX1ALDH1A1MAPK1NPSR1TOP2A
SCHEMBL6430724 0.87 APEX1 (0.51) APEX1ALDH1A1MAPK1TDP1MAPT
SCHEMBL7338079 0.86 MAPT (0.61) APEX1ALDH1A1MAPK1TDP1MAPT
SCHEMBL11379960 0.85 PARP1 (0.56) APEX1ALDH1A1MAPK1NPSR1KDM4E
SCHEMBL11393772 0.85 PARP1 (0.56) APEX1ALDH1A1MAPK1NPSR1KDM4E

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