SCHEMBL7190093

SCHEMBL7190093

Nc1ccc(S(=O)(=O)c2ccc(N)cc2Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.56
TSHR P16473 3/20 0.56
LMNA P02545 2/20 0.56
MPO P05164 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
ALDH1A1 P00352 2/20 0.48
PKM P14618 1/20 0.48
CA12 O43570 4/20 0.48
CA2 P00918 4/20 0.48
CA9 Q16790 4/20 0.48
CA1 P00915 3/20 0.48
CA14 Q9ULX7 3/20 0.48
CA4 P22748 2/20 0.48
CA6 P23280 2/20 0.48
CA5A P35218 2/20 0.48
CA7 P43166 2/20 0.48
CA5B Q9Y2D0 2/20 0.48
USP2 O75604 1/20 0.48
CA13 Q8N1Q1 1/20 0.48

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
SCHEMBL7188868 0.88 L3MBTL1 (0.45) HTR6TSHRLMNAMPOCYP3A4
SCHEMBL7190133 0.86 CA1 (0.58) HTR6TSHRLMNAMPOCYP3A4
SCHEMBL7188880 0.84 LMNA (0.63) HTR6TSHRLMNAALDH1A1PKM
SCHEMBL7195439 0.82 HTR6 (0.40) HTR6TSHRLMNAMPOCYP3A4
SCHEMBL163797 0.81 HTR6 (0.59) HTR6TSHRLMNAMPOCYP3A4
SCHEMBL29388003 0.81 HTR6 (0.56) HTR6TSHRLMNAMPOCYP3A4
SCHEMBL153129 0.81 HTR6 (0.56) HTR6TSHRLMNAMPOCYP3A4
SCHEMBL1703357 0.80 HTR6 (0.60) HTR6TSHRLMNAMPOCYP3A4
SCHEMBL14003579 0.79 CA2 (0.52) TSHRCYP3A4CYP2C9ALDH1A1CA12
SCHEMBL9713831 0.78 HTR6 (0.58) HTR6TSHRLMNAMPOCYP3A4

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-20030064235-A1 Optical members made of polymide resins MITSUI CHEMICALS, INC. (JP) 2003-04-03 US disclosed
EP-1237015-A1 OPTICAL MEMBERS MADE OF POLYIMIDE RESINS Mitsui Chemicals, Inc. (JP) 2002-09-04 EP disclosed