SCHEMBL9740477

SCHEMBL9740477

O=[N+]([O-])CS(=O)(=O)c1ccc(F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
ALDH1A1 P00352 4/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
S1PR4 O95977 1/20 0.36
LMNA P02545 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
NAMPT P43490 1/20 0.34
EPHX2 P34913 2/20 0.33

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
SCHEMBL9739935 0.83 ATM (0.46) AKR1B1PSEN1PSEN2APH1BNCSTN
SCHEMBL9711252 0.78 TSHR (0.36) ALDH1A1SMN1; SMN2L3MBTL1KMT2AVCAM1
SCHEMBL3331992 0.78 AKR1B1 (0.45) AKR1B1PSEN1PSEN2APH1BNCSTN
SCHEMBL9740686 0.76 HSD11B1 (0.41) ALDH1A1L3MBTL1KMT2AMAPTHSD11B1
SCHEMBL68990 0.75 TRPV4 (0.58) AKR1B1PSEN1PSEN2APH1BNCSTN
SCHEMBL29651884 0.75 TRPV4 (0.58) AKR1B1PSEN1PSEN2APH1BNCSTN
SCHEMBL28077457 0.73 MMP2 (0.41) AKR1B1PSEN1PSEN2APH1BNCSTN
SCHEMBL9711269 0.72 SOS1 (0.42) AKR1B1PSEN1PSEN2APH1BNCSTN
SCHEMBL27619523 0.71 AKR1B1 (0.49) AKR1B1PSEN1PSEN2APH1BNCSTN
SCHEMBL9711152 0.71 HSD11B1 (0.41) ALDH1A1L3MBTL1TDP1KMT2AVCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5153227-A Treatment of diabetes and galactosemia complications IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-10-06 US disclosed