SCHEMBL9198656

SCHEMBL9198656

O=S(=O)(NCCNCc1cccc(Cl)c1)c1ccc(Cl)c2ncccc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
RPS6KB1 P23443 1/20 0.46
SLC40A1 Q9NP59 2/20 0.44
KMT2A Q03164 1/20 0.44
GRM4 Q14833 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 2/20 0.43
CHRM2 P08172 1/20 0.42
FLT3 P36888 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.42
MCL1 Q07820 1/20 0.41

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
SCHEMBL9200540 0.86 ALDH1A1 (0.67) KDM4EALDH1A1HPGDKMT2AHSD17B10
SCHEMBL9200976 0.83 ALDH1A1 (0.56) KDM4EALDH1A1HPGDKMT2AHSD17B10
SCHEMBL9194304 0.82 LMNA (0.57) KDM4EALDH1A1HPGDRPS6KB1KMT2A
SCHEMBL9199361 0.82 ALDH1A1 (0.62) KDM4EALDH1A1HPGDKMT2AHSD17B10
SCHEMBL9198579 0.81 KMT2A (0.59) KDM4EALDH1A1HPGDSLC40A1KMT2A
SCHEMBL9200741 0.78 KDM4E (0.52) KDM4EALDH1A1HPGDSLC40A1KMT2A
SCHEMBL9200697 0.75 ALDH1A1 (0.56) KDM4EALDH1A1HPGDKMT2AHSD17B10
SCHEMBL9200974 0.75 KMT2A (0.47) KDM4EALDH1A1HPGDSLC40A1KMT2A
SCHEMBL9194491 0.75 ALDH1A1 (0.55) KDM4EALDH1A1HPGDKMT2AHSD17B10
Hydrochloric Acid SCHEMBL9344910 0.74 ALDH1A1 (0.55) KDM4EALDH1A1HPGDKMT2AHSD17B10

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
EP-0471841-B1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME ASAHI CHEMICAL IND (JP) 1995-11-02 EP disclosed
US-5340811-A Bronchodilator agent ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1994-08-23 US disclosed
EP-0471841-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1992-02-26 EP disclosed