SCHEMBL9319918

SCHEMBL9319918

Cc1ccc([NH])cc1S(=O)(=O)N1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
LMNA P02545 1/20 0.60
CNR2 P34972 10/20 0.57
KMT2A Q03164 1/20 0.57
BRD4 O60885 1/20 0.56
BRD2 P25440 1/20 0.56
BRD3 Q15059 1/20 0.56
CNR1 P21554 7/20 0.54
MAPT P10636 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL22433209 0.84 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2L3MBTL1LMNACNR2
SCHEMBL9320036 0.83 GSTO1 (0.55) ALDH1A1L3MBTL1KMT2ACNR1MAPT
SCHEMBL2080681 0.82 TP53 (0.65) ALDH1A1SMN1; SMN2L3MBTL1LMNACNR2
SCHEMBL29717131 0.82 LMNA (0.65) ALDH1A1SMN1; SMN2L3MBTL1LMNACNR2
SCHEMBL1592716 0.82 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2L3MBTL1LMNACNR2
SCHEMBL24512262 0.82 LMNA (0.65) ALDH1A1SMN1; SMN2L3MBTL1LMNACNR2
SCHEMBL29717132 0.78 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2L3MBTL1LMNACNR2
SCHEMBL4252422 0.78 SMN1; SMN2 (0.77) ALDH1A1SMN1; SMN2LMNACNR2KMT2A
SCHEMBL24512255 0.78 CNR1 (0.63) ALDH1A1SMN1; SMN2L3MBTL1LMNACNR2
SCHEMBL29222215 0.78 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2L3MBTL1LMNACNR2

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