SCHEMBL9320587

SCHEMBL9320587

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
PDE2A O00408 1/20 0.56
PDE5A O76074 1/20 0.56
CYP3A4 P08684 1/20 0.56
ALOX15 P16050 1/20 0.56
NFKB1 P19838 1/20 0.56
APEX1 P27695 1/20 0.56
PDE4A P27815 1/20 0.56
BLM P54132 1/20 0.56
PDE1B Q01064 1/20 0.56
PMP22 Q01453 1/20 0.56
PDE4B Q07343 1/20 0.56
PDE4D Q08499 1/20 0.56
PDE7A Q13946 1/20 0.56
PDE1C Q14123 1/20 0.56
PDE7B Q9NP56 1/20 0.56
KCNJ6 P48051 8/20 0.48
KCNJ3 P48549 8/20 0.48
KCNJ5 P48544 7/20 0.48
LMNA P02545 7/20 0.47

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
SCHEMBL9320504 0.80 ALDH1A1 (0.52) ALDH1A1CYP3A4LMNANPC1RAB9A
SCHEMBL9320430 0.79 GSTO1 (0.55) ALDH1A1LMNARAB9ASMN1; SMN2L3MBTL1
SCHEMBL9340792 0.77 ALDH1A1 (0.56) ALDH1A1PDE2APDE5ACYP3A4ALOX15
SCHEMBL1151540 0.77 KCNJ6 (0.57) ALDH1A1PDE2APDE5ACYP3A4ALOX15
SCHEMBL7213964 0.77 ALDH1A1 (0.56) ALDH1A1PDE2APDE5ACYP3A4ALOX15
SCHEMBL29451752 0.77 ALDH1A1 (0.56) ALDH1A1PDE2APDE5ACYP3A4ALOX15
SCHEMBL7537342 0.77 ALDH1A1 (0.56) ALDH1A1PDE2APDE5ACYP3A4ALOX15
SCHEMBL7217939 0.77 KCNJ6 (0.61) ALDH1A1PDE2APDE5ACYP3A4ALOX15
SCHEMBL29452064 0.77 ALDH1A1 (0.51) ALDH1A1PDE2APDE5ACYP3A4ALOX15
SCHEMBL9320536 0.76 ALDH1A1 (0.44) ALDH1A1PDE2APDE5ACYP3A4ALOX15

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