SCHEMBL8488156

SCHEMBL8488156

NCS(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.67
CA2 P00918 7/20 0.56
CA9 Q16790 4/20 0.50
CA12 O43570 3/20 0.50
F2 P00734 2/20 0.45
PRSS1 P07477 2/20 0.45
PRSS2 P07478 2/20 0.45
PRSS3 P35030 2/20 0.45
CA1 P00915 5/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
PSIP1 O75475 1/20 0.43
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL13586189 0.82 PLCG1 (0.61) PLCG1CA2CA9CA12F2
Hydrochloric Acid SCHEMBL4355135 0.80 PLCG1 (0.59) PLCG1CA2CA9CA12F2
SCHEMBL3253487 0.80 PLCG1 (1.00) PLCG1CA2CA9CA12F2
SCHEMBL5375 0.78 PLCG1 (0.70) PLCG1CA2CA9CA12CA1
SCHEMBL9704914 0.78 PLCG1 (0.70) PLCG1CA2CA9CA12F2
SCHEMBL9797895 0.77 PLCG1 (0.75) PLCG1CA2CA9CA12F2
SCHEMBL165340 0.76 PLCG1 (0.67) PLCG1CA2CA9CA12F2
SCHEMBL990775 0.76 ALDH1A1 (0.61) CA2CA9CA12F2PRSS1
SCHEMBL3109600 0.76 PLCG1 (0.67) PLCG1CA2CA9CA12F2
SCHEMBL13825881 0.76 PLCG1 (0.67) PLCG1CA2CA9CA12F2

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
US-5910482-A EFFECTIVE TREATING PREGNANCY DISORDER AND PREMATURE LABOR IN A PREGNANT FEMALE MAMMAL BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1999-06-08 US disclosed