SCHEMBL5368246

SCHEMBL5368246

O=S(=O)(O)c1ccc(CCCBr)cc1.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.46
LMNA P02545 1/20 0.43
TSHR P16473 3/20 0.42
ALDH1A1 P00352 1/20 0.42
NT5E P21589 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CA1 P00915 4/20 0.40
CA12 O43570 3/20 0.40
CA9 Q16790 3/20 0.40
CA4 P22748 2/20 0.40
CA6 P23280 2/20 0.40
CA5A P35218 2/20 0.40
CA7 P43166 2/20 0.40
CA14 Q9ULX7 2/20 0.40
CA5B Q9Y2D0 2/20 0.40
PDPK1 O15530 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CYP2D6 P10635 2/20 0.36
F2 P00734 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL4240715 0.98 CA2 (0.47) CA2LMNATSHRALDH1A1NT5E
SCHEMBL17044644 0.88 LMNA (0.46) CA2LMNATSHRALDH1A1NT5E
SCHEMBL30968190 0.86 LMNA (0.48) CA2LMNATSHRALDH1A1NT5E
SCHEMBL314445 0.86 LMNA (0.48) CA2LMNATSHRALDH1A1NT5E
SCHEMBL30446884 0.86 CA2 (0.57) CA2LMNATSHRALDH1A1NT5E
SCHEMBL11583429 0.81 LMNA (0.56) CA2LMNATSHRALDH1A1NT5E
SCHEMBL9386381 0.81 CA2 (0.50) CA2LMNATSHRALDH1A1NT5E
SCHEMBL1727436 0.80 CA2 (0.69) CA2LMNATSHRALDH1A1NT5E
SCHEMBL1808940 0.80 CA2 (0.48) CA2LMNATSHRALDH1A1NT5E
SCHEMBL2881344 0.79 LMNA (0.50) CA2LMNATSHRALDH1A1NT5E

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-7273918-B2 Thermally stable self-doped functionalized polyanilines Han, Chien-Chung (TW) 2007-09-25 US disclosed
CN-1673253-A Thermostable self-doping functionalized polyaniline HAN JIANZHONG (CN) 2005-09-28 CN disclosed
US-20050035335-A1 Thermally stable self-doped functionalized polyanilines NATIONAL TSING HUA UNIVERSITY (TW) 2005-02-17 US disclosed