SCHEMBL7584780

SCHEMBL7584780

Cc1ccc(NC(C(=O)O)c2ccccc2)c(S)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
BRD4 O60885 1/20 0.42
CXCR2 P25025 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
TP53 P04637 1/20 0.38
FPR2 P25090 1/20 0.38
METAP2 P50579 1/20 0.37
GAA P10253 1/20 0.36
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
KCNMA1 Q12791 1/20 0.36

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
SCHEMBL7578510 0.85 MEN1 (0.49) KMT2AMEN1BRD4SMN1; SMN2ALDH1A1
SCHEMBL7583940 0.82 BRD4 (0.57) KMT2AMEN1BRD4SMN1; SMN2RAB9A
SCHEMBL7576033 0.75 L3MBTL1 (0.42) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL9752468 0.75 MAPK1 (0.43) KMT2AMEN1CXCR2SMN1; SMN2NPC1
SCHEMBL2482091 0.74 SMN1; SMN2 (0.53) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL2483409 0.74 RAB9A (0.48) NPC1RAB9AALDH1A1HTTGAA
SCHEMBL7574752 0.74 NPSR1 (0.53) KMT2AMEN1ALDH1A1MAPTLMNA
Hydrochloric Acid SCHEMBL1695958 0.73 RAB9A (0.47) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL7583591 0.73 TDP1 (0.50) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL29709443 0.73 CYP2C9 (0.42) KMT2AMEN1NPC1RAB9AALDH1A1

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-1242069-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2002-09-25 EP disclosed
WO-2001003684-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2001-01-18 WO disclosed