SCHEMBL19829473

SCHEMBL19829473

CCc1ccc(-n2nnc3ccccc32)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 8/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
RAB9A P51151 1/20 0.46
KCNMA1 Q12791 1/20 0.46
KEAP1 Q14145 1/20 0.46
TNKS O95271 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GRM2 Q14416 2/20 0.44
TSHR P16473 1/20 0.43
MAPT P10636 1/20 0.43
CYP4Z1 Q86W10 1/20 0.42

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
SCHEMBL12204565 0.86 SMN1; SMN2 (0.62) SLC9A1SMN1; SMN2RAB9AKCNMA1KEAP1
SCHEMBL23470944 0.84 SMN1; SMN2 (0.48) SLC9A1SMN1; SMN2RAB9AKCNMA1KEAP1
SCHEMBL13925150 0.83 SMN1; SMN2 (0.50) SLC9A1SMN1; SMN2RAB9AKCNMA1KEAP1
SCHEMBL12970540 0.83 KCNMA1 (0.50) SLC9A1SMN1; SMN2RAB9AKCNMA1KEAP1
SCHEMBL24861808 0.83 SMN1; SMN2 (0.50) SLC9A1SMN1; SMN2RAB9AKCNMA1KEAP1
SCHEMBL28332052 0.83 SMN1; SMN2 (0.50) SLC9A1SMN1; SMN2RAB9AKCNMA1KEAP1
SCHEMBL24046811 0.83 GAA (0.49) SLC9A1SMN1; SMN2RAB9AKCNMA1KEAP1
SCHEMBL172700 0.81 ALDH1A1 (0.56) SLC9A1SMN1; SMN2RAB9AKCNMA1KEAP1
SCHEMBL15632082 0.80 SMN1; SMN2 (0.57) SLC9A1SMN1; SMN2RAB9AKCNMA1KEAP1
SCHEMBL24081163 0.80 SLC9A1 (0.44) SLC9A1SMN1; SMN2RAB9AKCNMA1KEAP1

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
WO-2024112727-A1 TREATING PAIN ASSOCIATED WITH CENTRAL SENSITIZATION MEDICON PHARMACEUTICALS, INC. (US) 2024-05-30 WO disclosed
WO-2018022978-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES FOR TREATING BRONCHIECTASIS INSMED INCORPORATED (US) 2018-02-01 WO disclosed