SCHEMBL29258174

SCHEMBL29258174

NC(=O)/C=C/c1ccncc1.O=C(NCc1ccc(Cl)cc1Cl)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.53
▸ TSHR P16473 1/20 0.52
▸ EPHX2 P34913 4/20 0.49
▸ LMNA P02545 3/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ NLRP1 Q9C000 1/20 0.49
▸ CASP1 P29466 1/20 0.48
▸ ROCK2 O75116 1/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.44
▸ ALOX5 P09917 1/20 0.44
▸ SCN2A Q99250 1/20 0.43
▸ SCN10A Q9Y5Y9 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 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
SCHEMBL29258130 0.92 GRIN1 (0.48) ALDH1A1TSHREPHX2LMNAMAPK1
SCHEMBL29258211 0.89 SMN1; SMN2 (0.54) LMNAMAPK1ROCK2SCN2ASCN10A
SCHEMBL29258277 0.85 SMN1; SMN2 (0.57) ALDH1A1TSHRLMNAMAPK1ROCK2
SCHEMBL29258544 0.84 NPC1 (0.57) MAPK1ROCK2SMN1; SMN2KMT2A
SCHEMBL29258169 0.84 SMN1; SMN2 (0.47) TSHRLMNAMAPK1ROCK2SMN1; SMN2
SCHEMBL29258268 0.84 LMNA (0.51) LMNAMAPK1ROCK2SMN1; SMN2MAPT
SCHEMBL29258251 0.82 HDAC1 (0.47) ALDH1A1EPHX2LMNAMAPK1ROCK2
SCHEMBL29258184 0.82 KMT2A (0.53) ALDH1A1LMNAMAPK1ROCK2SMN1; SMN2
SCHEMBL29258236 0.82 HDAC3 (0.49) ALDH1A1LMNAMAPK1ROCK2KMT2A
SCHEMBL29258199 0.81 NAMPT (0.53) ALDH1A1LMNAMAPK1ROCK2KMT2A

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
CN-118108664-A NAMPT agonist and preparation method and application thereof 中国人民解放军海军军医大学 2024-05-31 — — CN claimed
CN-118108664-A NAMPT agonist and preparation method and application thereof 中国人民解放军海军军医大学 2024-05-31 — — CN disclosed
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