SCHEMBL28254206

SCHEMBL28254206

O=C(OP(=O)(O)OC1O[C@H](CO)[C@@H](O)[C@H]1O)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ P2RY14 Q15391 5/20 0.39
▸ B4GALT1 P15291 1/20 0.39
▸ P2RY2 P41231 5/20 0.38
▸ P2RY6 Q15077 5/20 0.38
▸ THRB P10828 1/20 0.38
▸ SLC28A3 Q9HAS3 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ P2RY4 P51582 4/20 0.37

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
Niacinamide SCHEMBL3915026 0.83 F7 (0.44) P2RY14B4GALT1P2RY2P2RY6P2RY4
SCHEMBL25333021 0.83 ALDH1A1 (0.46) MAOBALDH1A1SLC28A3LMNAKMT2A
SCHEMBL502585 0.83 ALDH1A1 (0.46) MAOBALDH1A1SLC28A3LMNAKMT2A
SCHEMBL25387949 0.83 ALDH1A1 (0.46) MAOBALDH1A1SLC28A3LMNAKMT2A
SCHEMBL21828727 0.83 ALDH1A1 (0.46) MAOBALDH1A1SLC28A3LMNAKMT2A
SCHEMBL29993128 0.83 ALDH1A1 (0.46) MAOBALDH1A1SLC28A3LMNAKMT2A
Niacinamide SCHEMBL30498617 0.83 F7 (0.48) MAOBTHRBSLC28A3KMT2A
Niacinamide SCHEMBL28184048 0.83 F7 (0.48) MAOBTHRBSLC28A3KMT2A
Niacinamide SCHEMBL3907994 0.82 F7 (0.42) P2RY14B4GALT1P2RY2P2RY6P2RY4
Niacinamide SCHEMBL20398298 0.77 F7 (0.55) MAOBSLC28A3KMT2A

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-108884483-A The micro-organisms of niacin riboside 帝斯曼知识产权资产管理有限公司 2018-11-23 — — CN disclosed
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