SCHEMBL9320635

SCHEMBL9320635

Cc1ccc([NH])cc1S(N)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.45
CA1 P00915 7/20 0.45
CA12 O43570 5/20 0.45
CA9 Q16790 5/20 0.45
BRD4 O60885 1/20 0.45
BRD2 P25440 1/20 0.45
BRD3 Q15059 1/20 0.45
MAOB P27338 1/20 0.44
GLO1 Q04760 4/20 0.43
CA7 P43166 3/20 0.43
CA4 P22748 2/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PDIA6 Q15084 1/20 0.40
LMNA P02545 1/20 0.38

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
SCHEMBL1807015 0.83 PDIA6 (0.51) CA2CA1CA12CA9BRD4
SCHEMBL156325 0.79 POLB (0.43) BRD4ALDH1A1KDM4ELMNA
SCHEMBL1299062 0.78 ALDH1A1 (0.56) CA2CA1CA12CA9BRD4
SCHEMBL1925948 0.77 CA2 (0.52) CA2CA1CA12CA9BRD4
SCHEMBL31452114 0.77 L3MBTL1 (0.53) CA2CA1CA12CA9BRD4
SCHEMBL342932 0.77 L3MBTL1 (0.53) CA2CA1CA12CA9BRD4
SCHEMBL9321505 0.76 LMNA (0.65) BRD4ALDH1A1LMNA
SCHEMBL9320587 0.76 ALDH1A1 (0.56) ALDH1A1LMNA
SCHEMBL1806724 0.75 CA1 (0.48) CA2CA1CA12CA9MAOB
SCHEMBL756264 0.75 ALDH1A1 (0.54) CA2CA1CA12CA9BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0372315-B1 Reactive dyes based on copper formazane BASF AG (DE) 1994-01-26 EP disclosed
US-5245020-A Reactive dyes with two or three nitrogen-containing haloheterocycles as reactive system BASF AKTIENGESELLSCHAFT (DE) 1993-09-14 US disclosed
US-5149789-A Triazine dyes BASF AKTIENGESELLSCHAFT (DE) 1992-09-22 US disclosed
US-5041540-A For dyeing or printing hydroxyl- or nitrogen-containing substrates BASF AKTIENGESELLSCHAFT (DE) 1991-08-20 US disclosed
EP-0391264-A1 Reactive dyes with two or three halogen-N-heterocycles as reactive groups BASF Aktiengesellschaft (DE) 1990-10-10 EP disclosed
EP-0372315-A1 Reactive dyes based on copper formazane BASF Aktiengesellschaft (DE) 1990-06-13 EP disclosed