SCHEMBL9739644

SCHEMBL9739644

O=[N+]([O-])CSc1ccccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
CNR1 P21554 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 1/20 0.34
NOTUM Q6P988 1/20 0.33
PDE7A Q13946 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 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
SCHEMBL25280107 0.78 HSD11B1 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL9740256 0.77 SMN1; SMN2 (0.40) MAPTLMNACNR1KDM4EMAPK1
SCHEMBL9739624 0.73 LMNA (0.46) MAPTLMNAKDM4EMAPK1NPSR1
SCHEMBL8746025 0.73 MAPT (0.37) MAPTLMNAKDM4EMAPK1NPSR1
SCHEMBL5250851 0.72 IDO1 (0.37) DDB1CRBNTDP1NOTUMALDH1A1
SCHEMBL11838548 0.72 IDO1 (0.37) DDB1CRBNKDM4ETDP1NOTUM
SCHEMBL7242656 0.70 CYP1A2 (0.56) KDM4EALDH1A1MEN1CYP1A2POLB
SCHEMBL3890627 0.69 POLB (0.55) MAPTKDM4ETDP1ALDH1A1MEN1
SCHEMBL14994078 0.69 AR (0.36) DDB1CRBNSMN1; SMN2CYP1A2CYP3A4
SCHEMBL4188982 0.69 IDO1 (0.35) DDB1CRBNKDM4ETDP1NOTUM

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