SCHEMBL7434683

SCHEMBL7434683

Cc1[nH]cc2c(=O)n(-c3ccc(Cl)cc3)nc-2c1-c1cccc(C=O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
LMNA P02545 3/20 0.37
BRD4 O60885 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
AURKA O14965 1/20 0.36
SYK P43405 1/20 0.36
MAPT P10636 4/20 0.35
HTT P42858 4/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
NOD2 Q9HC29 1/20 0.35
AXL P30530 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL7445502 0.88 GAA (0.39) GAASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL2648853 0.86 GAA (0.39) GAASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL2649751 0.86 KIT (0.40) GAASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL2650293 0.85 PTDSS1 (0.38) GAASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL2650770 0.85 GAA (0.47) GAASMN1; SMN2NPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL2662150 0.84 GAA (0.46) GAASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL2649448 0.84 DHODH (0.40) GAASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL2649310 0.84 CSNK2A1 (0.42) GAASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL2649984 0.84 SMN1; SMN2 (0.43) GAASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL2649657 0.84 GAA (0.44) GAASMN1; SMN2NPC1RAB9AMEN1

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-6333336-B1 GAMMA-AMINOBUTYRIC ACID RECEPTORS AS ANTICONVULSANTS FORMING THE COMPOUND BY AMIDATION MERCK SHARP & DOHME LTD. (GB) 2001-12-25 US disclosed