SCHEMBL7434904

SCHEMBL7434904

Cc1[nH]cc2c(=O)n(-c3ccc(Cl)cc3)nc-2c1-c1ccc(NC=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
PTGS2 P35354 3/20 0.37
LMNA P02545 5/20 0.37
MAPT P10636 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HTT P42858 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
NOD2 Q9HC29 1/20 0.35
AURKA O14965 1/20 0.34
SYK P43405 1/20 0.34
CNR1 P21554 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL2649657 0.89 GAA (0.44) GAASMN1; SMN2MEN1KMT2APTGS2
SCHEMBL2650293 0.88 PTDSS1 (0.38) GAASMN1; SMN2MEN1KMT2APTGS2
Hydrochloric Acid SCHEMBL2662079 0.88 GAA (0.43) GAASMN1; SMN2MEN1KMT2APTGS2
SCHEMBL7445502 0.86 GAA (0.39) GAASMN1; SMN2MEN1KMT2APTGS2
SCHEMBL2650198 0.85 PSD (0.42) SMN1; SMN2MEN1KMT2APTGS2LMNA
SCHEMBL2649535 0.84 GAA (0.43) GAASMN1; SMN2MEN1KMT2APTGS2
SCHEMBL2648540 0.84 GAA (0.40) GAASMN1; SMN2MEN1KMT2APTGS2
SCHEMBL2650368 0.84 GAA (0.40) GAASMN1; SMN2MEN1KMT2APTGS2
SCHEMBL2649011 0.84 GAA (0.40) GAASMN1; SMN2MEN1KMT2APTGS2
SCHEMBL2650770 0.84 GAA (0.47) GAASMN1; SMN2MEN1KMT2ALMNA

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