SCHEMBL29138302

SCHEMBL29138302

O=C(O)COc1ccc(C2=CC3=CC4=NC(=CC5=NC(=CC6=NC(=CC2=N3)C=C6)C=C5)C=C4)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.39
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ FFAR1 O14842 1/20 0.37
▸ ACACA Q13085 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PTPN7 P35236 1/20 0.36
▸ PTPN12 Q05209 1/20 0.36
▸ PPARG P37231 1/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ ADORA2A P29274 2/20 0.35
▸ ADORA2B P29275 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NR4A1 P22736 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34

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
SCHEMBL28599192 0.81 ABCC4 (0.41) MEN1KMT2AALDH1A1FFAR1TSHR
SCHEMBL27894220 0.81 GSTP1 (0.41) MEN1KMT2ASMN1; SMN2MAPTNR4A1
SCHEMBL28807790 0.78 BCL2L1 (0.33) ALDH1A1TSHRKDM4EHPGD
SCHEMBL28332937 0.78 BCL2L1 (0.33) ALDH1A1TSHRKDM4EHPGD
SCHEMBL11337785 0.78 BCL2L1 (0.33) ALDH1A1TSHRKDM4EHPGD
SCHEMBL28351381 0.78 BCL2L1 (0.33) ALDH1A1TSHRKDM4EHPGD
SCHEMBL9587297 0.78 MEN1 (0.43) ALOX15MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL28493240 0.77 RARB (0.40) ALDH1A1SMN1; SMN2TSHRKDM4ECYP1A2
SCHEMBL28436255 0.77 RARB (0.40) ALDH1A1SMN1; SMN2TSHRKDM4ECYP1A2
SCHEMBL28098902 0.77 MAPT (0.40) MEN1KMT2AMAPTKDM4E

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-117160248-A Nanofiltration membrane and preparation method and application thereof 南京大学 2023-12-05 — — CN claimed
CN-117160248-A Nanofiltration membrane and preparation method and application thereof 南京大学 2023-12-05 — — CN disclosed
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