SCHEMBL28046088

SCHEMBL28046088

O=S(=O)(C=S)Nc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.52
CA2 P00918 3/20 0.52
CA1 P00915 2/20 0.52
IL1RN P18510 1/20 0.50
ERAP1 Q9NZ08 1/20 0.50
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 4/20 0.47
PKM P14618 2/20 0.47
MEN1 O00255 1/20 0.47
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
LMNA P02545 2/20 0.42
TGM2 P21980 1/20 0.39
PGR P06401 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL27952528 0.79 KEAP1 (0.54) KEAP1CA2CA1IL1RNERAP1
SCHEMBL1424434 0.77 TGM2 (0.64) KEAP1CA2CA1IL1RNERAP1
SCHEMBL7446297 0.77 KEAP1 (0.58) KEAP1CA2CA1IL1RNERAP1
SCHEMBL5604522 0.76 KMT2A (0.51) KEAP1CA2CA1IL1RNERAP1
SCHEMBL2103296 0.73 KEAP1 (0.58) KEAP1CA2CA1IL1RNERAP1
SCHEMBL1122431 0.72 KMT2A (0.77) KMT2AALDH1A1PKMMEN1LMNA
SCHEMBL1122427 0.72 KMT2A (0.77) KMT2AALDH1A1PKMMEN1LMNA
SCHEMBL6005110 0.72 CA2 (0.64) KEAP1CA2CA1IL1RNERAP1
SCHEMBL59151 0.72 KEAP1 (0.64) KEAP1CA2CA1IL1RNERAP1
SCHEMBL11335118 0.71 TGM2 (0.61) KEAP1CA2CA1IL1RNERAP1

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
CN-105209562-A Antifouling coating film having low frictional resistance with water or seawater ESTEN CHEMICAL RES CORP 2015-12-30 CN disclosed