SCHEMBL6019268

SCHEMBL6019268

CC(=O)Nc1cc(SC(C)=O)ccc1SC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
TP53 P04637 3/20 0.41
BLM P54132 3/20 0.41
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP1A2 P05177 1/20 0.36
MAOA P21397 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL6018042 0.86 MAPT (0.43) ALDH1A1TP53BLMRXFP1MAPT
SCHEMBL26965416 0.81 KDM4E (0.53) ALDH1A1POLBKMT2AKDM4EHSD17B10
SCHEMBL5085415 0.81 POLB (0.42) ALDH1A1MAPTNPC1POLBRAB9A
SCHEMBL5082284 0.80 POLB (0.41) ALDH1A1MAPTNPC1POLBRAB9A
SCHEMBL9721425 0.77 ALDH1A1 (0.55) ALDH1A1TP53MAPTPOLBHPGD
SCHEMBL9674395 0.76 ALDH1A1 (0.41) ALDH1A1TP53BLMRXFP1MAPT
SCHEMBL9713055 0.72 SMN1; SMN2 (0.59) ALDH1A1MAPTNPC1POLBRAB9A
SCHEMBL917054 0.70 CYP3A4 (0.46) ALDH1A1MAPTNPC1POLBRAB9A
SCHEMBL4219569 0.70 ALDH1A1 (0.58) ALDH1A1TP53MAPTPOLBRAB9A
SCHEMBL14341653 0.70 HPGD (0.46) ALDH1A1MAPTNPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1683822-A1 PREPOLYMER, PREPOLYMER COMPOSITION, HIGH MOLECULAR WEIGHT POLYMER HAVING STRUCTURE CONTAINING HOLE AND ELECTRICALLY INSULATING FILM Daicel Chemical Industries, Ltd. (JP) 2006-07-26 EP disclosed