SCHEMBL29927440

SCHEMBL29927440

O=C(OCc1ccccc1)N1CCCCC1.[Na]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.68
▸ KMT2A Q03164 2/20 0.68
▸ NPSR1 Q6W5P4 2/20 0.68
▸ SMN1; SMN2 Q16637 4/20 0.66
▸ NPC1 O15118 4/20 0.66
▸ RAB9A P51151 3/20 0.66
▸ CYP2C19 P33261 1/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ GRIN2B Q13224 3/20 0.52
▸ HTT P42858 1/20 0.52
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ F13A1 P00488 1/20 0.51
▸ TGM2 P21980 1/20 0.51
▸ TGM1 P22735 1/20 0.51
▸ TMEM97 Q5BJF2 2/20 0.50
▸ SIGMAR1 Q99720 2/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ DPP4 P27487 1/20 0.49

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
SCHEMBL6557909 0.98 MEN1 (0.69) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL794423 0.98 MEN1 (0.69) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4710641 0.98 MEN1 (0.69) MEN1KMT2ANPSR1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL27499702 0.97 MEN1 (0.68) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7424105 0.97 MEN1 (0.71) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1000788 0.97 MEN1 (0.71) MEN1KMT2ANPSR1SMN1; SMN2NPC1
Hydrogen Sulfide SCHEMBL28243160 0.95 MEN1 (0.69) MEN1KMT2ANPSR1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL27804056 0.95 MEN1 (0.69) MEN1KMT2ANPSR1SMN1; SMN2NPC1
Methylene Chloride SCHEMBL28167523 0.94 MEN1 (0.64) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL5109854 0.93 MEN1 (0.71) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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-114761383-A Sulfonamide derivatives and uses thereof 诺瑟拉有限公司 2022-07-15 — — CN disclosed
Send feedback