SCHEMBL29451817

SCHEMBL29451817

Cc1ccc([N+](=O)[O-])cc1SCCCc1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
ALDH1A1 P00352 5/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 4/20 0.44
APOBEC3A P31941 1/20 0.44
HTT P42858 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
MEN1 O00255 2/20 0.42
PKM P14618 1/20 0.41
PDE7A Q13946 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL29451292 0.76 L3MBTL1 (0.56) POLBALDH1A1NPC1RAB9AMAPT
SCHEMBL5656645 0.76 ALDH1A1 (0.56) POLBALDH1A1NPC1RAB9AMAPT
SCHEMBL6793540 0.72 ALDH1A1 (0.59) POLBALDH1A1NPC1RAB9AMAPT
SCHEMBL6187792 0.72 ALDH1A1 (0.54) POLBALDH1A1MAPTKMT2AAPOBEC3A
SCHEMBL4844382 0.71 ALDH1A1 (0.70) POLBALDH1A1MAPTKMT2AMEN1
SCHEMBL6787809 0.71 POLB (0.65) POLBALDH1A1NPC1RAB9AKMT2A
SCHEMBL29451495 0.70 L3MBTL1 (0.64) ALDH1A1MAPTSMN1; SMN2KMT2AL3MBTL1
SCHEMBL16375352 0.70 ALDH1A1 (0.54) ALDH1A1NPC1RAB9AKMT2AHTT
SCHEMBL6187801 0.69 KMT2A (0.51) POLBALDH1A1MAPTKMT2AAPOBEC3A
SCHEMBL6787331 0.69 POLB (0.57) POLBALDH1A1NPC1RAB9AMAPT

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
WO-2022032144-A1 SUBSTRATE ADAPTOR INHIBITORS OF PRMT5 AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2022-02-10 WO disclosed