Niacin

Niacin

SCHEMBL9502658

O=C(NCc1ccccc1)C(O)c1ccccc1.O=C(O)c1cccnc1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
GAA P10253 3/20 0.53
ALDH1A1 P00352 1/20 0.53
APP P05067 1/20 0.53
HCAR3 P49019 1/20 0.53
HCAR2 Q8TDS4 1/20 0.53
SLC1A2 P43004 1/20 0.52
EPHX2 P34913 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
PKM P14618 1/20 0.49
USP2 O75604 1/20 0.48

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
Benzoic Acid SCHEMBL9503440 0.87 KMT2A (0.55) LMNAALDH1A1EPHX2KMT2AMEN1
SCHEMBL4158947 0.82 KMT2A (0.57) LMNAGAAKMT2AMEN1PKM
SCHEMBL4158853 0.82 KMT2A (0.57) LMNAGAAKMT2AMEN1PKM
SCHEMBL4158848 0.82 KMT2A (0.57) LMNAGAAKMT2AMEN1PKM
Mandelic Acid SCHEMBL810372 0.80 ALDH1A1 (0.68) SMN1; SMN2LMNAHTTGAAALDH1A1
Niacin SCHEMBL6703843 0.79 LMNA (0.63) SMN1; SMN2LMNAHTTGAAALDH1A1
SCHEMBL9502663 0.78 CYP2D6 (0.55) SMN1; SMN2LMNAHPGDHTTGAA
SCHEMBL354041 0.77 TSHR (0.76) SMN1; SMN2GAAEPHX2CYP2C9CYP2C19
SCHEMBL15162164 0.76 MEP1B (0.56) SMN1; SMN2LMNAHPGDHTTCYP2C9
Iodide SCHEMBL15903217 0.76 TSHR (0.74) SMN1; SMN2GAAEPHX2CYP2C9CYP2C19

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
EP-0376852-B1 MICROGRANULES ESSENTIALLY CONSISTING OF TRIGLYCERIDES OF SATURATED FATTY ACIDS LOADED WITH AN ACTIVE SUBSTANCE, AND THEIR TOPICAL THERAPEUTICAL USE CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA (FR) 1993-06-23 EP claimed