SCHEMBL11276340

SCHEMBL11276340

NCCN1C(=O)SC(c2ccccc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
POLB P06746 4/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
LMNA P02545 4/20 0.37
TDP1 Q9NUW8 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 5/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CISD1 Q9NZ45 1/20 0.36
HPGD P15428 2/20 0.36
HEXA P06865 1/20 0.35
HEXB P07686 1/20 0.35
MAPK1 P28482 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
MAPT P10636 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 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
Bromide SCHEMBL11277120 0.98 CA2 (0.37) CA2POLBMEN1KMT2ALMNA
SCHEMBL11252797 0.80 HTR2C (0.41) LMNASMN1; SMN2ALDH1A1MAPTHTT
Hydrochloric Acid SCHEMBL11282109 0.79 CARM1 (0.44) CA2POLBMEN1KMT2ALMNA
SCHEMBL11246015 0.78 SLC6A4 (0.37) MAPT
Bromide SCHEMBL11273907 0.77 SLC6A4 (0.37) MAPT
SCHEMBL11256784 0.77 ALDH1A1 (0.41) MEN1KMT2AALDH1A1HEXAHEXB
Bromide SCHEMBL11266456 0.76 ALDH1A1 (0.40) MEN1KMT2AALDH1A1HEXAHEXB
SCHEMBL11272848 0.76 MTNR1A (0.47) POLBALDH1A1MAPK1KDM4E
SCHEMBL4760288 0.74 ALDH1A1 (0.53) CA2POLBMEN1KMT2ALMNA
SCHEMBL5167815 0.73 ALDH1A1 (0.43) POLBMEN1KMT2ALMNASMN1; SMN2

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-4349683-A ANTICONVULSANTS, ANTIDEPRESSANTS SYNTHELABO (FR) 1982-09-14 US disclosed