SCHEMBL9739624

SCHEMBL9739624

O=[N+]([O-])CSc1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
KMT2A Q03164 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 2/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
PDE7A Q13946 9/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
USP7 Q93009 1/20 0.38
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL9740858 0.85 USP7 (0.42) LMNAKMT2ATDP1MAPTSMN1; SMN2
SCHEMBL9711273 0.82 KMT2A (0.37) LMNAKMT2ATDP1MAPTSMN1; SMN2
SCHEMBL9740256 0.77 SMN1; SMN2 (0.40) LMNAKMT2ATDP1MAPTSMN1; SMN2
SCHEMBL8746025 0.77 MAPT (0.37) LMNAKMT2ATDP1MAPTSMN1; SMN2
SCHEMBL9711236 0.75 TDP1 (0.40) LMNAKMT2ATDP1MAPTSMN1; SMN2
SCHEMBL9739474 0.75 L3MBTL1 (0.37) LMNAKMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL9711235 0.74 PDE7A (0.38) LMNAKMT2ATDP1MAPTSMN1; SMN2
SCHEMBL28351783 0.74 LMNA (0.46) LMNAKMT2ATDP1MAPTSMN1; SMN2
SCHEMBL9739776 0.73 MTNR1A (0.51) KMT2ATDP1MAPTSMN1; SMN2ALDH1A1
SCHEMBL9739644 0.73 MAPT (0.38) LMNAKMT2ATDP1MAPTSMN1; SMN2

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