SCHEMBL9397246

SCHEMBL9397246

CC(NS(=O)(=O)c1ccc(Cl)c2ncccc12)N1CCN(Cc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.53
MAPK1 P28482 2/20 0.53
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
USP2 O75604 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
CYP2D6 P10635 1/20 0.48
DRD2 P14416 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
NFKB1 P19838 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
CYP2C19 P33261 1/20 0.48
ADRA1A P35348 1/20 0.48
DRD3 P35462 1/20 0.48
HTR2B P41595 1/20 0.48

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
SCHEMBL9198824 0.97 PKM (0.51) PKMMAPK1MEN1KMT2AUSP2
SCHEMBL9397286 0.88 LMNA (0.63) PKMMAPK1MEN1KMT2AUSP2
SCHEMBL9398477 0.87 SMN1; SMN2 (0.46) MEN1KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL9398311 0.86 LMNA (0.60) PKMMAPK1MEN1KMT2AUSP2
SCHEMBL9397256 0.84 PKM (0.56) PKMMAPK1MEN1KMT2AUSP2
SCHEMBL9398291 0.84 MAPT (0.43) MEN1KMT2ADRD2DRD3LMNA
SCHEMBL9397253 0.83 MAPK1 (0.51) PKMMAPK1MEN1KMT2AUSP2
SCHEMBL9198833 0.82 PKM (0.53) PKMMAPK1MEN1KMT2AUSP2
SCHEMBL9349852 0.81 FTO (0.41) MEN1KMT2ALMNAALDH1A1KDM4E
Hydrochloric Acid SCHEMBL9397163 0.81 MAPK1 (0.47) PKMMAPK1MEN1KMT2AUSP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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