SCHEMBL7332256

SCHEMBL7332256

CCCOc1ccc(-c2ccc(-c3nnc(-c4ccc(C(=O)OC)cc4)s3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.58
RAB9A P51151 4/20 0.58
KDM4E B2RXH2 2/20 0.58
NPC1 O15118 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MAPT P10636 6/20 0.57
XIAP P98170 1/20 0.55
NR1H4 Q96RI1 1/20 0.52
LMNA P02545 3/20 0.51
HDAC1 Q13547 3/20 0.49
HDAC2 Q92769 3/20 0.49
CSNK2A2 P19784 2/20 0.49
CSNK2A1 P68400 2/20 0.49
PLK1 P53350 1/20 0.49
HDAC6 Q9UBN7 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL6539257 0.94 MAPT (0.59) SMN1; SMN2RAB9AKDM4ENPC1L3MBTL1
SCHEMBL27466498 0.93 RARB (0.56) SMN1; SMN2RAB9ANPC1MAPTXIAP
SCHEMBL6539009 0.90 RARB (0.56) SMN1; SMN2RAB9ANPC1MAPTXIAP
SCHEMBL7339486 0.90 RARB (0.56) SMN1; SMN2RAB9ANPC1MAPTXIAP
SCHEMBL7331757 0.90 RARB (0.56) SMN1; SMN2RAB9ANPC1MAPTXIAP
SCHEMBL14231641 0.88 MAPT (0.74) SMN1; SMN2RAB9ANPC1L3MBTL1MAPT
SCHEMBL7339556 0.87 NR1H4 (0.68) SMN1; SMN2RAB9AKDM4ENPC1L3MBTL1
SCHEMBL7319177 0.86 MAPT (0.56) SMN1; SMN2RAB9AKDM4EL3MBTL1MAPT
SCHEMBL6538456 0.86 MAPT (0.66) SMN1; SMN2RAB9AKDM4ENPC1L3MBTL1
SCHEMBL7397503 0.86 MAPT (0.56) SMN1; SMN2RAB9AKDM4EL3MBTL1MAPT

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