SCHEMBL10403095

SCHEMBL10403095

Cn1nnnc1[S+]([O-])CNC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C19 P33261 2/20 0.32
CYP1A2 P05177 1/20 0.32
RECQL P46063 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.31
HPGD P15428 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL11361580 0.80 ALDH1A1 (0.36) GAASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL11362710 0.79 ALDH1A1 (0.33) GAAALDH1A1RECQLHSD17B10
SCHEMBL29089456 0.71 NPC1 (0.46) GAASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL15017837 0.68 TP53 (0.40) SMN1; SMN2RAB9AMEN1KMT2ARECQL
SCHEMBL29089455 0.67 RAB9A (0.44) GAASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL29089447 0.67 USP2 (0.46) SMN1; SMN2RAB9ANPC1ALDH1A1MEN1
SCHEMBL29089425 0.67 LMNA (0.46) GAASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL10404418 0.66 ALDH1A1 (0.53) GAASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL29089432 0.64 GSK3B (0.48) GAARAB9AALDH1A1MEN1KMT2A
SCHEMBL29089409 0.64 GSK3B (0.46) GAARAB9ANPC1ALDH1A1HSD17B10

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-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 US disclosed