SCHEMBL30979090

SCHEMBL30979090

Nc1ccc2c(N)nc3nncn3c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33

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
SCHEMBL30978935 0.82 CYP1A1 (0.41) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL30979125 0.80 KDM4E (0.34) KDM4EALDH1A1MAPT
SCHEMBL30978941 0.80 MAT2A (0.48) KDM4EALDH1A1HRH3MAPTSMN1; SMN2
SCHEMBL30978936 0.80 KDM4E (0.34) KDM4EALDH1A1MAPTTYMSSMN1; SMN2
SCHEMBL30979084 0.80 TOP2A (0.43) KDM4EALDH1A1KMT2AMAPT
SCHEMBL29909498 0.79 SMN1; SMN2 (0.46) KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL30979120 0.78 HRH4 (0.46) ALDH1A1ACHEHTTHRH3MAPT
SCHEMBL30961075 0.77 SMN1; SMN2 (0.48) KDM4EALDH1A1MEN1LMNAHTT
SCHEMBL30013514 0.77 KDM4E (0.35) KDM4EMEN1F2LMNACHRM2
SCHEMBL30048544 0.74 MAPT (0.39) KDM4EMAPTSMN1; SMN2

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-118324767-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2024-07-12 — — CN disclosed
Send feedback