SCHEMBL9397241

SCHEMBL9397241

CC(NS(=O)(=O)c1ccc(Cl)c2ncccc12)N1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 1/20 0.43
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
THPO P40225 1/20 0.41
HIF1A Q16665 1/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
BLM P54132 1/20 0.40
COMT P21964 3/20 0.39
KDM4E B2RXH2 4/20 0.38
SLC40A1 Q9NP59 3/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
RRM1 P23921 1/20 0.37
RRM2B Q7LG56 1/20 0.37

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
SCHEMBL9397252 0.96 FTO (0.40) FTOCYP3A4TSHRNFKB1THPO
SCHEMBL9349852 0.85 FTO (0.41) FTOMAPTLMNACOMTKDM4E
SCHEMBL9398247 0.84 ALDH1A1 (0.54) CYP3A4MAPTLMNAKDM4EALDH1A1
SCHEMBL9344868 0.84 MAPT (0.41) FTOTSHRMAPTLMNACOMT
SCHEMBL9398477 0.82 SMN1; SMN2 (0.46) FTOCYP3A4MAPTLMNAKDM4E
SCHEMBL9345574 0.81 FTO (0.40) FTOMAPTLMNACOMTKDM4E
SCHEMBL9398291 0.79 MAPT (0.43) FTOMAPTLMNAKDM4ESLC40A1
SCHEMBL9349805 0.79 SMN1; SMN2 (0.41) MAPTLMNAKDM4EALDH1A1HTR6
SCHEMBL9397274 0.78 CYP3A4 (0.64) CYP3A4TSHRNFKB1THPOHIF1A
SCHEMBL9397299 0.78 CYP3A4 (0.56) CYP3A4TSHRNFKB1THPOHIF1A

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