SCHEMBL29623938

SCHEMBL29623938

N#CCC(=O)NCc1ccccn1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.63
POLB P06746 2/20 0.61
MCL1 Q07820 1/20 0.59
HPGD P15428 4/20 0.58
ALOX15 P16050 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
RECQL P46063 1/20 0.55
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
MAPT P10636 2/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL7970340 1.00 SMN1; SMN2 (0.63) SMN1; SMN2POLBMCL1HPGDALOX15
SCHEMBL3394147 0.85 MAPK1 (0.57) SMN1; SMN2MCL1TDP1RAB9ANPC1
SCHEMBL1186765 0.80 SMN1; SMN2 (0.71) SMN1; SMN2POLBHPGDALOX15TDP1
SCHEMBL5247667 0.80 SMN1; SMN2 (0.71) SMN1; SMN2POLBHPGDALOX15TDP1
SCHEMBL20105000 0.80 MCL1 (0.50) SMN1; SMN2POLBMCL1HPGDALOX15
SCHEMBL29493662 0.80 MCL1 (0.50) SMN1; SMN2POLBMCL1HPGDALOX15
SCHEMBL9773 0.79 SMN1; SMN2 (0.69) SMN1; SMN2POLBHPGDALOX15TDP1
SCHEMBL3841381 0.79 SMN1; SMN2 (0.69) SMN1; SMN2POLBHPGDALOX15TDP1
SCHEMBL1186533 0.79 SMN1; SMN2 (0.69) SMN1; SMN2POLBHPGDALOX15TDP1
SCHEMBL30585275 0.79 SMN1; SMN2 (0.69) SMN1; SMN2POLBHPGDALOX15TDP1

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
CN-108699019-B Benzofuran derivatives useful in the treatment of central nervous system and other diseases 华纳巴布科克绿色化学学院有限公司 2022-05-10 CN disclosed