SCHEMBL9320649

SCHEMBL9320649

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
HPGD P15428 1/20 0.50
PDK1 Q15118 1/20 0.49
PDK2 Q15119 1/20 0.49
PDK3 Q15120 1/20 0.49
PDK4 Q16654 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
BRD4 O60885 1/20 0.46
BRD2 P25440 1/20 0.46
BRD3 Q15059 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
HTT P42858 1/20 0.43

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
SCHEMBL9320621 0.85 CYP2D6 (0.44) ALDH1A1HPGDPDK1PDK2PDK3
SCHEMBL18995904 0.84 ALDH1A1 (0.59) ALDH1A1HPGDPDK1PDK2PDK3
SCHEMBL9005826 0.83 ALDH1A1 (0.54) ALDH1A1HPGDPDK1PDK2PDK3
SCHEMBL9320064 0.82 BRD4 (0.51) ALDH1A1NPSR1SMN1; SMN2KDM4ELMNA
SCHEMBL1349157 0.81 ALDH1A1 (0.52) ALDH1A1HPGDPDK1PDK2PDK3
SCHEMBL633851 0.81 ALDH1A1 (0.52) ALDH1A1HPGDPDK1PDK2PDK3
SCHEMBL9321467 0.81 GSTO1 (0.60) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL20202276 0.80 ALDH1A1 (0.61) ALDH1A1HPGDPDK1PDK2PDK3
SCHEMBL19285886 0.78 ALDH1A1 (0.59) ALDH1A1HPGDPDK1PDK2PDK3
SCHEMBL9307678 0.77 ALDH1A1 (0.56) ALDH1A1HPGDPDK1PDK2PDK3

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