SCHEMBL7576033

SCHEMBL7576033

Cc1cccc(NC(C(=O)O)c2ccccc2)c1S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
RPS6KB1 P23443 2/20 0.40
AURKA O14965 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
HTT P42858 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HPGD P15428 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
AKR1B10 O60218 1/20 0.38
TRPA1 O75762 1/20 0.38
ABCB11 O95342 1/20 0.38
DHFR P00374 1/20 0.38

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
SCHEMBL2483409 0.85 RAB9A (0.48) L3MBTL1CYP1A2CYP3A4CYP2C9HTT
SCHEMBL7578887 0.84 LMNA (0.50) L3MBTL1CYP1A2CYP3A4CYP2C9HTT
Hydrochloric Acid SCHEMBL1695958 0.84 RAB9A (0.47) L3MBTL1CYP1A2CYP3A4CYP2C9HTT
SCHEMBL7574624 0.82 ALDH1A1 (0.42) L3MBTL1CYP1A2CYP3A4CYP2C9HTT
SCHEMBL2485161 0.79 MEN1 (0.45) L3MBTL1RPS6KB1AURKACYP3A4CYP2D6
Ammonia Solution, Strong SCHEMBL17997772 0.78 MEN1 (0.44) L3MBTL1RPS6KB1AURKACYP3A4CYP2D6
SCHEMBL9844488 0.76 ALDH1A1 (0.42) L3MBTL1HTTHPGDNPC1RAB9A
SCHEMBL7574770 0.76 ALDH1A1 (0.61) CYP1A2CYP3A4CYP2C9HTTCYP2C19
SCHEMBL7584780 0.75 KMT2A (0.46) L3MBTL1HTTNPC1RAB9ALMNA
SCHEMBL7583940 0.74 BRD4 (0.57) HTTRAB9ALMNAMEN1KMT2A

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