SCHEMBL8516545

SCHEMBL8516545

C=CC(S)Nc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.44
ALDH1A1 P00352 6/20 0.39
TSHR P16473 5/20 0.39
HSD17B10 Q99714 4/20 0.39
ALOX15 P16050 3/20 0.39
ALOX12 P18054 3/20 0.39
CYP3A4 P08684 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 2/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
ATM Q13315 1/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
TGM2 P21980 1/20 0.38
CTSD P07339 1/20 0.36
MAPK1 P28482 2/20 0.35
PTGS2 P35354 2/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 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
SCHEMBL11552465 0.78
SCHEMBL4892692 0.73 TDP1 (0.44) TDP1ALDH1A1TSHRHSD17B10ALOX15
SCHEMBL2350755 0.73 TDP1 (0.56) TDP1ALDH1A1TSHRHSD17B10ALOX15
SCHEMBL646260 0.73 TDP1 (0.44) TDP1ALDH1A1TSHRHSD17B10ALOX15
SCHEMBL3337536 0.73 TDP1 (0.44) TDP1ALDH1A1TSHRHSD17B10ALOX15
SCHEMBL4964227 0.73 TDP1 (0.44) TDP1ALDH1A1TSHRHSD17B10ALOX15
SCHEMBL2786299 0.73 TDP1 (0.44) TDP1ALDH1A1TSHRHSD17B10ALOX15
SCHEMBL27337982 0.73 TDP1 (0.56) TDP1ALDH1A1TSHRHSD17B10ALOX15
SCHEMBL15826348 0.71 TDP1 (0.43) TDP1ALDH1A1TSHRHSD17B10ALOX15
SCHEMBL5440741 0.71 TDP1 (0.43) TDP1ALDH1A1TSHRHSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11124351-A None JP disclosed
JP-H11124351-A ION EXCHANGE RESIN AND PRODUCTION OF BISPHENOLS USING THE SAME RESIN MITSUBISHI CHEMICAL CORP 1999-05-11 JP disclosed