SCHEMBL13429856

SCHEMBL13429856

Cc1ccc(N2c3ccc(S)cc3Oc3cc(Br)ccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.37
ALDH1A1 P00352 1/20 0.33
ELANE P08246 2/20 0.33
F2 P00734 1/20 0.33
CTSG P08311 1/20 0.33
CMA1 P23946 1/20 0.33
CTRC Q99895 1/20 0.33
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
MGLL Q99685 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
HBB P68871 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL13328077 0.91 AHR (0.44) AHRALDH1A1ELANEF2CTSG
SCHEMBL12440940 0.88 AHR (0.41) AHRALDH1A1ELANEF2CTSG
SCHEMBL13125131 0.84 AHR (0.46) AHRALDH1A1ELANEF2CTSG
SCHEMBL28227794 0.82 ALDH1A1 (0.40) AHRALDH1A1ELANEF2CTSG
SCHEMBL23660862 0.81 AHR (0.50) AHRESR1ESR2MGLLMEN1
SCHEMBL29534796 0.81 AHR (0.50) AHRESR1ESR2MGLLMEN1
SCHEMBL12514816 0.81 HSD17B10 (0.41) AHRALDH1A1ELANEF2CTSG
SCHEMBL16327689 0.79 AHR (0.43) AHRALDH1A1HSD17B10
SCHEMBL12374353 0.78 ELANE (0.43) ALDH1A1ELANEF2CTSGCMA1
SCHEMBL13429672 0.78 AHR (0.33) AHR

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-20100069603-A1 METHOD FOR PRODUCING STRUCTURE WHEREIN AROMATIC POLYMER IS BONDED TO BASE, STRUCTURE HAVING AROMATIC POLYMER CHAIN BONDED TO CONDUCTIVE BASE, AND ELECTRONIC DEVICE COMPRISING THE STRUCTURE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 US disclosed
US-20100069603-A1 METHOD FOR PRODUCING STRUCTURE WHEREIN AROMATIC POLYMER IS BONDED TO BASE, STRUCTURE HAVING AROMATIC POLYMER CHAIN BONDED TO CONDUCTIVE BASE, AND ELECTRONIC DEVICE COMPRISING THE STRUCTURE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 US disclosed