SCHEMBL5264599

SCHEMBL5264599

CCCCNC(=O)c1ncccc1C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
NAAA Q02083 2/20 0.47
HPGD P15428 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 2/20 0.44
NAMPT P43490 1/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL31500526 0.95 NAAA (0.52) HTTTSHRSMN1; SMN2NAAAHPGD
SCHEMBL9967355 0.94 NAAA (0.55) HTTTSHRSMN1; SMN2NAAAHPGD
SCHEMBL8358319 0.85 EGLN2 (0.61) HTTTSHRSMN1; SMN2NAAAHPGD
SCHEMBL10709742 0.84 EGLN2 (0.49) HTTTSHRRAB9ANPC1L3MBTL1
SCHEMBL13310736 0.84 PARP1 (0.48) HTTL3MBTL1KMT2A
SCHEMBL30131475 0.84 HPGD (0.60) HTTTSHRSMN1; SMN2NAAAHPGD
Hydrochloric Acid SCHEMBL10707149 0.82 CHEK1 (0.47) TSHRRAB9ANPC1KMT2AMEN1
SCHEMBL9206936 0.81 HTT (0.56) HTTTSHRSMN1; SMN2NAAAHPGD
SCHEMBL1423557 0.81 EGLN2 (0.60) HTTTSHRSMN1; SMN2NAAAHPGD
SCHEMBL10244761 0.80 SMN1; SMN2 (0.49) HTTTSHRSMN1; SMN2NAAAHPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118290350-A Heteroaryl and bisheteroaryl derivatives for the treatment of iron death-related disorders 协同医药发展有限公司 2024-07-05 CN disclosed
CN-113631535-B Heteroaryl and bisheteroaryl derivatives for the treatment of iron death-related disorders 协同医药发展有限公司 2024-04-12 CN disclosed
CN-113631535-A Heteroaryl and bis-heterocyclic aryl derivatives for the treatment of disorders associated with iron death 协同医药发展有限公司 2021-11-09 CN disclosed
EP-1791842-A1 PROCESS FOR THE PREPARATION OF 6, 8-SUBSTITUTED `1, 7 NAPHTHPYRIDIN DERIVATIVES BY REACTING THE 8-HALO-`1, 7 NAPHTHPYRIDIN-DERIVATE WITH AN ORGANIC BORONIC ACID DERIVATIVES AND INTERMADIATES OF THIS PROCESS Novartis AG (CH) 2007-06-06 EP disclosed
WO-2006031959-A1 PROCESS FOR THE PREPARATION OF 6, 8-SUBSTITUTED `1, 7 NAPHTHPYRIDIN DERIVATIVES BY REACTING THE 8-HALO-`1, 7 NAPHTHPYRIDIN-DERIVATE WITH AN ORGANIC BORONIC ACID DERIVATIVES AND INTERMADIATES OF THIS PROCESS NOVARTIS AG (CH) 2006-03-23 WO disclosed