SCHEMBL3326593

SCHEMBL3326593

Nc1ccc(SSc2ccc(-c3ccc(N)cc3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.65
CYP3A4 P08684 5/20 0.65
TDP1 Q9NUW8 3/20 0.65
TP53 P04637 2/20 0.65
MAPK1 P28482 2/20 0.55
TSHR P16473 1/20 0.55
HSD17B10 Q99714 5/20 0.52
TAAR1 Q96RJ0 2/20 0.52
MAPT P10636 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
FBP1 P09467 1/20 0.47
KDM4E B2RXH2 3/20 0.44
KIF11 P52732 1/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CA14 Q9ULX7 2/20 0.42
CA12 O43570 1/20 0.42

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
SCHEMBL34346 0.91 CYP3A4 (0.65) ALDH1A1CYP3A4TDP1TP53MAPK1
Hydrochloric Acid SCHEMBL3248171 0.88 CYP3A4 (0.61) ALDH1A1CYP3A4TDP1TP53MAPK1
Benzidine SCHEMBL3420120 0.82 CYP3A4 (0.44) ALDH1A1CYP3A4TDP1TP53MAPK1
SCHEMBL9485845 0.82 CYP3A4 (0.82) ALDH1A1CYP3A4TDP1TP53MAPK1
SCHEMBL1270077 0.82 CYP3A4 (0.82) ALDH1A1CYP3A4TDP1TP53MAPK1
SCHEMBL9153502 0.82 CYP3A4 (0.82) ALDH1A1CYP3A4TDP1TP53MAPK1
SCHEMBL9647851 0.82 CYP3A4 (0.82) ALDH1A1CYP3A4TDP1TP53MAPK1
Benzidine SCHEMBL29021 0.80 CYP3A4 (1.00) ALDH1A1CYP3A4TDP1TP53MAPK1
SCHEMBL258287 0.80 CYP3A4 (1.00) ALDH1A1CYP3A4TDP1TP53MAPK1
SCHEMBL2024128 0.80 CYP3A4 (1.00) ALDH1A1CYP3A4TDP1TP53MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137490-A1 RESIN COMPOSITION, CURED PRODUCT AND OPTICAL PARTS TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-06-03 US disclosed
US-7714096-B2 Resin composition, cured product and optical parts TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-05-11 US disclosed
US-20080255284-A1 RESIN COMPOSITION, CURED PRODUCT AND OPTICAL PARTS TOKYO INSTITUTE OF TECHNOLOGY (JP) 2008-10-16 US disclosed
EP-1975192-A1 Resin composition, cured product and optical parts Tokyo Institute of Technology (JP) 2008-10-01 EP disclosed