SCHEMBL8360646

SCHEMBL8360646

O=C(Cl)c1ccccc1Oc1cc(Cl)c([N+](=O)[O-])c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.41
HPGD P15428 1/20 0.40
HPSE Q9Y251 1/20 0.39
POLB P06746 1/20 0.39
CCR6 P51684 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CTNNB1 P35222 1/20 0.39
F10 P00742 1/20 0.39
MAPK8 P45983 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TLR8 Q9NR97 1/20 0.37
RORC P51449 1/20 0.37

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
SCHEMBL15956628 0.78 HSPB1 (0.50) ALDH1A1MAPTLMNATDP1SMN1; SMN2
SCHEMBL9068240 0.78 HSPB1 (0.50) ALDH1A1MAPTLMNATDP1SMN1; SMN2
SCHEMBL9789888 0.77 CTNNB1 (0.47) ALDH1A1MAPTLMNATDP1SMN1; SMN2
SCHEMBL11126859 0.76 ALDH1A1 (0.52) ALDH1A1MAPTLMNATDP1SMN1; SMN2
SCHEMBL8360769 0.75 TSHR (0.41) ALDH1A1MAPTLMNATDP1SMN1; SMN2
SCHEMBL645199 0.73 CTNNB1 (0.67) ALDH1A1MAPTLMNATDP1SMN1; SMN2
SCHEMBL8360647 0.73 MAPT (0.41) ALDH1A1MAPTLMNATDP1SMN1; SMN2
SCHEMBL28090366 0.73 TDP1 (0.55) ALDH1A1MAPTLMNATDP1SMN1; SMN2
SCHEMBL3357655 0.73 ALDH1A1 (0.52) ALDH1A1MAPTTDP1SMN1; SMN2TSHR
SCHEMBL15956859 0.72 HSPB1 (0.49) ALDH1A1LMNATDP1TSHRMEN1

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-5958910-A Use of N-(4-aryl-thiazol-2-yl)-sulfonamides HOFFMANN-LA ROCHE INC. (US) 1999-09-28 US disclosed
US-5877193-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 1999-03-02 US disclosed
EP-0819681-A2 N-(4-Aryl-thiazol-2-yl)-sulfonamides and their use F. HOFFMANN-LA ROCHE AG (CH) 1998-01-21 EP disclosed