SCHEMBL7320562

SCHEMBL7320562

COCCCCCCCOc1ccc(C(=O)NN)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
MAPT P10636 4/20 0.59
ALDH1A1 P00352 3/20 0.59
HTT P42858 1/20 0.59
GAA P10253 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.56
MAPK1 P28482 1/20 0.55
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
PLK1 P53350 1/20 0.53
PLA2G4B P0C869 1/20 0.51
SPHK1 Q9NYA1 1/20 0.51
NPC1 O15118 1/20 0.50

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
SCHEMBL7332665 1.00 CA1 (0.64) CA1CA2MAPTALDH1A1HTT
SCHEMBL7323028 1.00 CA1 (0.64) CA1CA2MAPTALDH1A1HTT
SCHEMBL9242353 0.89 TP53 (0.69) TP53TSHRPLA2G4BSPHK1
SCHEMBL9242371 0.89 TP53 (0.69) TP53TSHRPLA2G4BSPHK1
SCHEMBL7734803 0.89 TP53 (0.69) TP53TSHRPLA2G4BSPHK1
SCHEMBL28467816 0.89 TP53 (0.69) TP53TSHRPLA2G4BSPHK1
SCHEMBL3952381 0.89 TP53 (0.69) TP53TSHRPLA2G4BSPHK1
SCHEMBL4822746 0.89 TP53 (0.69) TP53TSHRPLA2G4BSPHK1
SCHEMBL27767036 0.89 TP53 (0.69) TP53TSHRPLA2G4BSPHK1
SCHEMBL7330555 0.87 TP53 (0.66) CA1CA2TP53TSHRPLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6232290-B1 FUNGICIDES AGAINST PNEUMOCYSTIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-15 US disclosed
EP-1053247-A1 ANTIFUNGAL CYCLOHEXAPEPTIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-22 EP disclosed
WO-1999040108-A1 NEW COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-12 WO disclosed