SCHEMBL9739997

SCHEMBL9739997

Cc1ccc(SC[N+](=O)[O-])c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
TSHR P16473 3/20 0.40
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
S1PR4 O95977 1/20 0.35
ACHE P22303 2/20 0.35
HSD17B10 Q99714 1/20 0.35
APEX1 P27695 1/20 0.35
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL20171522 0.74 LMNA (0.45) LMNASMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL9515924 0.74 LMNA (0.45) LMNASMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL14564993 0.72 LMNA (0.44) LMNASMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL10859248 0.71 LMNA (0.46) LMNASMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL24548502 0.69 LMNA (0.42) LMNASMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL11163658 0.69 TAAR1 (0.44) LMNASMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL9740135 0.69 TSHR (0.45) TSHRCYP3A4SMN1; SMN2L3MBTL1POLB
SCHEMBL14273069 0.69 LMNA (0.56) LMNATSHRSMN1; SMN2L3MBTL1POLB
SCHEMBL9711236 0.69 TDP1 (0.40) LMNATSHRSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL10856259 0.68 LMNA (0.41) LMNASMN1; SMN2NPC1RAB9AL3MBTL1

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