SCHEMBL16312910

SCHEMBL16312910

CSc1ccc(S(=O)(=O)N2CCCCC2)cc1SC

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.61
▸ USP2 O75604 1/20 0.59
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ MCOLN3 Q8TDD5 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ HTT P42858 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL13874963 0.86 TSHR (0.56) TSHRUSP2CYP1A2CYP3A4CYP2C19
SCHEMBL16312911 0.84 TSHR (0.57) TSHRALDH1A1MEN1KMT2AHSD17B10
SCHEMBL4469033 0.75 SERPINE1 (0.72) TSHRUSP2CYP3A4MCOLN3ALDH1A1
SCHEMBL14904960 0.74 ALDH1A1 (0.53) TSHRUSP2CYP1A2CYP3A4CYP2C19
SCHEMBL493045 0.73 POLB (0.72) TSHRUSP2MCOLN3ALDH1A1MEN1
SCHEMBL5564371 0.72 KMT2A (0.86) USP2CYP1A2CYP3A4ALDH1A1MEN1
SCHEMBL15945283 0.72 KMT2A (0.86) USP2CYP1A2CYP3A4ALDH1A1MEN1
SCHEMBL18484219 0.72 KMT2A (0.86) USP2CYP1A2CYP3A4ALDH1A1MEN1
SCHEMBL12519994 0.72 USP2 (0.80) TSHRUSP2ALDH1A1MEN1KMT2A
SCHEMBL7645597 0.72 KMT2A (0.86) USP2CYP1A2CYP3A4ALDH1A1MEN1

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-1496375-B1 Composition for optical film comprising a near-infrared absorbing dye and a quencher ASAHI GLASS CO LTD (JP) 2008-10-15 — — EP disclosed
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