SCHEMBL7554673

SCHEMBL7554673

[CH2]CSCc1ccc(CSC[CH2])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NOS1 P29475 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA3 P07451 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA5A P35218 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA13 Q8N1Q1 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA5B Q9Y2D0 2/20 0.35
CYP2C19 P33261 5/20 0.34
CYP1A2 P05177 4/20 0.34
CYP2C9 P11712 3/20 0.34
BCHE P06276 1/20 0.34

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
SCHEMBL5976419 0.87 IDO1 (0.47) KMT2AHTTALDH1A1HPGDTP53
SCHEMBL5976506 0.87 CYP1A2 (0.50) MEN1KMT2ACYP2C19CYP1A2CYP2C9
SCHEMBL8336169 0.87 IDO1 (0.47) CYP1A2HTTALDH1A1GAATP53
SCHEMBL291657 0.86 CYP2C19 (0.48) NOS1CA12CA1CA2CA9
SCHEMBL8995212 0.83 ALDH1A1 (0.48) TSHRCYP2C19CYP1A2CYP2D6ALDH1A1
SCHEMBL8745091 0.82
SCHEMBL5051589 0.82 CYP1A2 (0.46) MEN1KMT2ACYP2C19CYP1A2CYP2C9
SCHEMBL5978986 0.71 TSHR (0.38) TSHRCYP2C19CYP1A2CYP2C9MAPK1
SCHEMBL7750593 0.70 CYP1A2 (0.48) CYP1A2CYP2D6HTTALDH1A1
SCHEMBL8539247 0.69 SMN1; SMN2 (0.50) TSHRMEN1KMT2ANOS1CA12

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-0716102-B1 TRANSPARENT PLASTIC MATERIAL, OPTICAL ARTICLE MADE THEREFROM, AND PRODUCTION PROCESS SEIKO EPSON CORP (JP) 2002-02-06 EP claimed