SCHEMBL6420440

SCHEMBL6420440

NC(=O)c1ccc(-c2sccc2-c2cccs2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
GAA P10253 4/20 0.49
KDM4E B2RXH2 4/20 0.49
MAPT P10636 3/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
LMNA P02545 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TSHR P16473 1/20 0.49
GLA P06280 1/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
HDAC1 Q13547 3/20 0.48
MEN1 O00255 2/20 0.48
POLB P06746 2/20 0.48
KMT2A Q03164 2/20 0.48
TP53 P04637 1/20 0.48
NFKB1 P19838 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48

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
SCHEMBL5571907 0.87 ALDH1A1 (0.50) ALDH1A1GAAKDM4EMAPTHPGD
SCHEMBL5569527 0.84 ALDH1A1 (0.48) ALDH1A1GAAKDM4EMAPTHPGD
SCHEMBL5999215 0.82 ALDH1A1 (0.69) ALDH1A1GAAKDM4EMAPTHPGD
SCHEMBL498669 0.81 ALDH1A1 (0.67) ALDH1A1GAAKDM4EMAPTHPGD
SCHEMBL365802 0.75 KDM4E (0.42) ALDH1A1GAAKDM4EMAPTHPGD
SCHEMBL147273 0.75 KDM4E (0.42) ALDH1A1GAAKDM4EMAPTHPGD
Acetic Acid SCHEMBL367778 0.74 KDM4E (0.45) ALDH1A1GAAKDM4EMAPTHPGD
SCHEMBL6420433 0.74 ALDH1A1 (0.49) ALDH1A1GAAKDM4EMAPTHPGD
Methyl Alcohol SCHEMBL6013731 0.73 ALDH1A1 (0.42) ALDH1A1GAAKDM4EMAPTHPGD
SCHEMBL1780394 0.73 HDAC1 (0.36) ALDH1A1GAAKDM4EMAPTHPGD

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-1450790-A4 PHOTOSENSITIZING CARBAMATE DERIVATIVES MIRAVANT PHARM INC (US) 2005-10-26 EP disclosed
EP-1450790-A2 PHOTOSENSITIZING CARBAMATE DERIVATIVES Miravant Pharmaceuticals, Inc. (US) 2004-09-01 EP disclosed
EP-1377274-A2 DRUG DELIVERY SYSTEM FOR HYDROPHOBIC DRUGS QLT Inc. (CA) 2004-01-07 EP disclosed
WO-2003028628-A2 PHOTOSENSITIZING CARBAMATE DERIVATIVES MIRAVANT PHARMACEUTICALS, INC. (US) 2003-04-10 WO disclosed
WO-2002083097-A2 DRUG DELIVERY SYSTEM FOR HYDROPHOBIC DRUGS QLT INC. (CA) 2002-10-24 WO disclosed