SCHEMBL22326302

SCHEMBL22326302

Nc1cc(N)c(-c2ccccc2)c(N)c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 3/20 0.44
MAOA P21397 1/20 0.42
MAPT P10636 5/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 3/20 0.42
CYP3A4 P08684 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 3/20 0.41
ALOX15 P16050 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 2/20 0.41
USP2 O75604 1/20 0.41
HSP90AA1 P07900 1/20 0.41
GAA P10253 1/20 0.41
ALOX12 P18054 1/20 0.41
ADORA2A P29274 1/20 0.39
ADORA1 P30542 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
SCHEMBL7991776 0.90 ALDH1A1 (0.41) ALDH1A1HSD17B10MAOAMAPTLMNA
SCHEMBL904510 0.86 HSD17B10 (0.48) ALDH1A1HSD17B10MAOAMAPTLMNA
SCHEMBL29596767 0.86 HSD17B10 (0.48) ALDH1A1HSD17B10MAOAMAPTLMNA
SCHEMBL27608247 0.85 ALDH1A1 (0.41) ALDH1A1HSD17B10MAOAMAPTLMNA
SCHEMBL675595 0.83 ALDH1A1 (0.50) ALDH1A1HSD17B10MAOAMAPTLMNA
SCHEMBL28535205 0.83 ALDH1A1 (0.50) ALDH1A1HSD17B10MAOAMAPTLMNA
SCHEMBL5030574 0.80 HSD17B10 (0.48) ALDH1A1HSD17B10MAOAMAPTLMNA
SCHEMBL23579606 0.80 ALDH1A1 (0.37) ALDH1A1HSD17B10MAOAMAPTLMNA
SCHEMBL24129921 0.80 ACHE (0.44) HSD17B10KDM4EADORA2AADORA1ACHE
SCHEMBL614879 0.79 ALDH1A1 (0.44) ALDH1A1HSD17B10MAOAMAPTLMNA

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
EP-4321547-A1 CROSSLINKABLE SYSTEMS Prefere Resins Holding GmbH (DE) 2024-02-14 EP claimed
CN-113412265-B Polycyclic aromatic compounds 学校法人关西学院 2024-05-03 CN disclosed
EP-4321547-A1 CROSSLINKABLE SYSTEMS Prefere Resins Holding GmbH (DE) 2024-02-14 EP disclosed
CN-113412265-A Polycyclic aromatic compound 学校法人关西学院 2021-09-17 CN disclosed
WO-2020162600-A1 POLYCYCLIC AROMATIC COMPOUND 学校法人関西学院 2020-08-13 WO disclosed