SCHEMBL9739474

SCHEMBL9739474

O=[N+]([O-])CSc1ccc(F)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
PDE7A Q13946 9/20 0.37
ATM Q13315 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
S1PR4 O95977 1/20 0.36
LMNA P02545 1/20 0.36
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE7B Q9NP56 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CA2 P00918 1/20 0.33
ARNT P27540 1/20 0.33
EPAS1 Q99814 1/20 0.33
LDHA P00338 1/20 0.33
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL9741306 0.83 ATM (0.47) L3MBTL1SMN1; SMN2ALDH1A1HTTPDE7A
SCHEMBL9711235 0.77 PDE7A (0.38) SMN1; SMN2ALDH1A1PDE7ATDP1LMNA
SCHEMBL9739624 0.75 LMNA (0.46) L3MBTL1SMN1; SMN2ALDH1A1PDE7ATDP1
SCHEMBL27562903 0.73 KDM4E (0.38) L3MBTL1SMN1; SMN2ATMTDP1KDM4E
SCHEMBL6602067 0.72 KDM4E (0.35) L3MBTL1SMN1; SMN2ALDH1A1HTTATM
SCHEMBL7819980 0.71 KDM4E (0.42) ALDH1A1KDM4ELDHACYP1A2CYP2C19
SCHEMBL24377922 0.70 KDM4E (0.36) L3MBTL1SMN1; SMN2ATMKDM4ELDHA
SCHEMBL3018147 0.70 ALDH1A1 (0.49) L3MBTL1SMN1; SMN2ALDH1A1HTTATM
SCHEMBL1255217 0.69 ATM (0.39) L3MBTL1SMN1; SMN2ALDH1A1PDE7AATM
SCHEMBL28941715 0.69 ATM (0.50) L3MBTL1PDE7AATMKDM4ELDHA

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