SCHEMBL17153845

SCHEMBL17153845

S=C(S)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNN4 O15554 6/20 0.41
▸ CYP1A2 P05177 2/20 0.39
▸ ESR1 P03372 2/20 0.39
▸ ESR2 Q92731 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ALOX15 P16050 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA3 P07451 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA13 Q8N1Q1 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
SCHEMBL3889410 0.78 KCNN4 (0.44) KCNN4CYP1A2ESR1ESR2CYP2C9
SCHEMBL3889406 0.74 KCNN4 (0.52) KCNN4CYP1A2ESR1ESR2CYP2C9
SCHEMBL3951414 0.70 KCNN4 (0.39) KCNN4CYP1A2ESR1ESR2CYP2C9
SCHEMBL248981 0.69 KCNN4 (0.42) KCNN4CYP1A2ESR1ESR2CYP2C9
SCHEMBL30255485 0.69 KIF11 (0.38) KCNN4CYP1A2ESR1ESR2ALDH1A1
SCHEMBL3360360 0.68 MAPT (0.54) KCNN4ESR1ESR2CYP2C19ALDH1A1
SCHEMBL3085916 0.68 ALDH1A1 (0.38) KCNN4CYP1A2ESR1ESR2CYP2C9
SCHEMBL3951407 0.67 KCNN4 (0.45) KCNN4CYP1A2CYP2C19ALDH1A1TSHR
SCHEMBL28915520 0.67 KCNN4 (0.42) KCNN4CYP1A2ESR1ESR2ALDH1A1
SCHEMBL45520 0.67 CYP1A2 (0.56) KCNN4CYP1A2CYP2C9CYP2C19ALDH1A1

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
US-20150287953-A1 TRANSPARENT ELECTRODE, ELECTRONIC DEVICE, AND ORGANIC ELECTROLUMINESCENT ELEMENT Konica Minolta, Inc. (JP) 2015-10-08 — — US disclosed
US-20150287953-A1 TRANSPARENT ELECTRODE, ELECTRONIC DEVICE, AND ORGANIC ELECTROLUMINESCENT ELEMENT Konica Minolta, Inc. (JP) 2015-10-08 — — US disclosed
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