SCHEMBL14935828

SCHEMBL14935828

Cc1cc(-c2cc(C)c(N(CCS(=O)(=O)O)CCS(=O)(=O)O)c(C)c2)cc(C)c1N

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL14935721 0.91 ALDH1A1 (0.42) ALDH1A1TP53CYP3A4TSHRTDP1
SCHEMBL28009558 0.80 ALDH1A1 (0.52) ALDH1A1TP53CYP3A4TSHRTDP1
Sulfuric Acid SCHEMBL8521097 0.76 ALDH1A1 (0.70) ALDH1A1TP53CYP3A4TSHRTDP1
SCHEMBL17601966 0.75 ALDH1A1 (0.42) ALDH1A1TP53CYP3A4TSHRTDP1
SCHEMBL574611 0.73 ALDH1A1 (0.44) ALDH1A1TP53CYP3A4TSHRTDP1
SCHEMBL8654581 0.73 TDP1 (0.44) ALDH1A1TP53CYP3A4TSHRTDP1
SCHEMBL574004 0.71 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4TSHRTDP1
SCHEMBL574723 0.71 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4TSHRTDP1
SCHEMBL753887 0.70 ALDH1A1 (0.40) ALDH1A1TP53CYP3A4TSHRTDP1
SCHEMBL17668123 0.70 ALDH1A1 (0.58) ALDH1A1TP53CYP3A4TSHRTDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160084809-A1 SIMULTANEOUS DETERMINATION OF MULTIPLE ANALYTES IN INDUSTRIAL WATER SYSTEM BL TECHNOLOGIES, INC. 2016-03-24 US disclosed
US-9228986-B2 Simultaneous determination of multiple analytes in industrial water system GENERAL ELECTRIC COMPANY (US) 2016-01-05 US disclosed
US-20130122597-A1 SIMULTANEOUS DETERMINATION OF MULTIPLE ANALYTES IN INDUSTRIAL WATER SYSTEM BL TECHNOLOGIES, INC. 2013-05-16 US disclosed