SCHEMBL9740256

SCHEMBL9740256

O=[N+]([O-])CSc1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.38
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
PDE7A Q13946 1/20 0.36
BACE1 P56817 1/20 0.36
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
USP2 O75604 1/20 0.34
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 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
SCHEMBL9741306 0.78 ATM (0.47) SMN1; SMN2ALDH1A1POLBMAPTTDP1
SCHEMBL8746025 0.77 MAPT (0.37) SMN1; SMN2NPC1RAB9AALDH1A1POLB
SCHEMBL9739624 0.77 LMNA (0.46) SMN1; SMN2NPC1RAB9AALDH1A1POLB
SCHEMBL9739644 0.77 MAPT (0.38) SMN1; SMN2ALDH1A1POLBMAPTTDP1
SCHEMBL9711233 0.73 KDM4E (0.38) SMN1; SMN2MAPTTDP1MAPK1KDM4E
SCHEMBL9739776 0.73 MTNR1A (0.51) SMN1; SMN2NPC1RAB9AALDH1A1POLB
SCHEMBL778637 0.72 BACE1 (0.42) SMN1; SMN2NPC1RAB9AALDH1A1POLB
SCHEMBL4368896 0.71 ALDH1A1 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL9740858 0.70 USP7 (0.42) SMN1; SMN2ALDH1A1MAPTTDP1MAPK1
SCHEMBL30784461 0.70 BACE1 (0.45) SMN1; SMN2NPC1RAB9AALDH1A1POLB

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