SCHEMBL9200540

SCHEMBL9200540

CCOc1ccc(S(=O)(=O)NCCNCc2cccc(Cl)c2)c2cccnc12

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.67
HPGD P15428 5/20 0.67
KDM4E B2RXH2 5/20 0.67
POLB P06746 5/20 0.61
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C19 P33261 1/20 0.59
LMNA P02545 4/20 0.58
MAPT P10636 3/20 0.54
KMT2A Q03164 2/20 0.54
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 1/20 0.48
GLA P06280 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
PKM P14618 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 1/20 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
SCHEMBL9397296 0.88 ALDH1A1 (0.69) ALDH1A1HPGDKDM4EPOLBCYP3A4
SCHEMBL9198656 0.86 KDM4E (0.47) ALDH1A1HPGDKDM4EPOLBKMT2A
SCHEMBL9193433 0.86 ALDH1A1 (0.67) ALDH1A1HPGDKDM4EPOLBCYP3A4
SCHEMBL9195860 0.83 ALDH1A1 (0.83) ALDH1A1HPGDKDM4EPOLBCYP3A4
SCHEMBL9194478 0.83 ALDH1A1 (0.75) ALDH1A1HPGDKDM4EPOLBCYP3A4
SCHEMBL9198535 0.82 KDM4E (0.68) ALDH1A1HPGDKDM4EPOLBCYP3A4
SCHEMBL9398258 0.82 ALDH1A1 (0.62) ALDH1A1HPGDKDM4EPOLBCYP3A4
SCHEMBL9200976 0.79 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EPOLBCYP3A4
SCHEMBL5960070 0.78 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EPOLBCYP3A4
SCHEMBL9198961 0.78 ALDH1A1 (0.63) ALDH1A1HPGDKDM4EPOLBCYP3A4

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