SCHEMBL31469558

SCHEMBL31469558

c1ccc(SCC(c2ccccc2)n2ncc(-c3ccccc3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.39
▸ NPC1 O15118 7/20 0.39
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ ALOX5 P09917 2/20 0.32
▸ CYP19A1 P11511 1/20 0.31

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
SCHEMBL31469522 0.76 KMT2A (0.32) RAB9ANPC1SMN1; SMN2MAPTMAPK1
SCHEMBL31469548 0.75 MAOA (0.35) RAB9ANPC1MAOASMN1; SMN2MEN1
SCHEMBL31469546 0.74 HPGD (0.47) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL31469517 0.73 DAGLA (0.39) MAPTTDP1
SCHEMBL31469509 0.71 DAGLA (0.40) LMNAMAPTMAPK1
SCHEMBL31469540 0.71 DAGLA (0.42) LMNAKMT2A
SCHEMBL31469542 0.71 HPGD (0.44) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL31469505 0.69 MAPT (0.45) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL31469534 0.69 CYP2C9 (0.41) MAPTMAPK1MEN1KMT2A
SCHEMBL31469474 0.69 HPGD (0.44) RAB9ANPC1SMN1; SMN2LMNAMAPT

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-119490463-A Beta-triazole derivative and synthetic method and application thereof 华东师范大学 2025-02-21 — — CN disclosed
Send feedback