SCHEMBL8927893

SCHEMBL8927893

CNc1cccc2cccc(S)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
L3MBTL1 Q9Y468 4/20 0.37
TDP1 Q9NUW8 3/20 0.37
MAPK1 P28482 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
EGFR P00533 1/20 0.37
PABPC1 P11940 1/20 0.37
ALDH1A1 P00352 6/20 0.36
HSD17B10 Q99714 5/20 0.36
HPGD P15428 5/20 0.36
TSHR P16473 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
KDM4E B2RXH2 5/20 0.35
POLB P06746 3/20 0.35
USP2 O75604 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL2514448 0.84 ALDH1A1 (0.45) MAPTL3MBTL1TDP1MAPK1RAB9A
SCHEMBL16194338 0.76 ALDH1A1 (0.40) MAPTL3MBTL1TDP1MAPK1RAB9A
SCHEMBL31077732 0.75 ALDH1A1 (0.53) MAPTL3MBTL1TDP1MAPK1PABPC1
SCHEMBL999427 0.75 ALDH1A1 (0.53) MAPTL3MBTL1TDP1MAPK1PABPC1
SCHEMBL1402535 0.75 ALDH1A1 (0.43) MAPTL3MBTL1TDP1MAPK1ALDH1A1
SCHEMBL22989728 0.74 ACLY (0.39) MAPTL3MBTL1TDP1MAPK1RAB9A
SCHEMBL8483683 0.74 ALDH1A1 (0.45) MAPTL3MBTL1TDP1MAPK1RAB9A
SCHEMBL27919241 0.74 ALDH1A1 (0.36) MAPTL3MBTL1TDP1MAPK1RAB9A
SCHEMBL24520224 0.74 CYP1A2 (0.38) MAPTL3MBTL1TDP1MAPK1RAB9A
SCHEMBL27919113 0.74 UQCRB (0.45) MAPTL3MBTL1TDP1MAPK1ALDH1A1

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
US-5591848-A Spiroconjugated charge-transfer dyes for optical applications THE PENN STATE RESEARCH FOUNDATION (US) 1997-01-07 US disclosed