SCHEMBL7837835

SCHEMBL7837835

NC(=O)C(=O)OC(=O)c1cccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.51
NPC1 O15118 6/20 0.51
KMT2A Q03164 4/20 0.51
PKM P14618 3/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
DAO P14920 1/20 0.48
LMNA P02545 3/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
HDAC1 Q13547 1/20 0.46
MAPT P10636 2/20 0.45
C1S P09871 2/20 0.45
CFD P00746 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL2915012 0.85 RAB9A (0.54) RAB9ANPC1KMT2APKMHPGD
SCHEMBL3268211 0.84 CES2 (0.62) RAB9ANPC1KMT2APKMHPGD
SCHEMBL3876236 0.77 CES2 (0.46) RAB9ANPC1KMT2APKMHPGD
SCHEMBL6296917 0.77 KMT2A (0.56) RAB9ANPC1KMT2APKMHPGD
SCHEMBL28808144 0.76
SCHEMBL7647867 0.76 CES2 (0.62) RAB9ANPC1KMT2APKMHPGD
SCHEMBL31438886 0.75 RAB9A (0.47) RAB9ANPC1KMT2APKMHPGD
SCHEMBL27691133 0.75 KMT2A (0.47) RAB9ANPC1KMT2APKMHPGD
SCHEMBL16856706 0.74 KMT2A (0.53) RAB9ANPC1KMT2AHPGDSMN1; SMN2
SCHEMBL27375514 0.74 HPGDS (0.61) RAB9ANPC1KMT2APKMHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1080068-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES Novo Nordisk A/S (DK) 2001-03-07 EP disclosed
WO-1999046237-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed