SCHEMBL28859698

SCHEMBL28859698

O=C(c1ccc(-c2cc3ccccc3o2)cc1)N1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 10/20 0.66
MKNK2 Q9HBH9 10/20 0.66
HPGD P15428 4/20 0.63
ALDH1A1 P00352 3/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
POLB P06746 1/20 0.60
MAPT P10636 1/20 0.60
MAPK1 P28482 1/20 0.56
TNKS O95271 1/20 0.56
NPC1 O15118 1/20 0.55
TSHR P16473 1/20 0.55
RAB9A P51151 1/20 0.55
EIF4E P06730 6/20 0.55
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL28216628 0.88 MKNK1 (0.66) MKNK1MKNK2HPGDALDH1A1TNKS
SCHEMBL28217090 0.85 ALDH1A1 (0.52) MKNK1MKNK2ALDH1A1TNKSEIF4E
SCHEMBL28217093 0.82 ALDH1A1 (0.51) MKNK1MKNK2ALDH1A1TNKSNPC1
SCHEMBL22697276 0.80 MKNK1 (1.00) MKNK1MKNK2EIF4E
SCHEMBL16385826 0.78 HPGD (0.54) MKNK1MKNK2HPGDALDH1A1TNKS
SCHEMBL22697335 0.78 MKNK1 (0.98) MKNK1MKNK2EIF4E
SCHEMBL19864572 0.77 ALDH1A1 (1.00) HPGDALDH1A1L3MBTL1POLBMAPT
SCHEMBL15170873 0.77 ALDH1A1 (1.00) HPGDALDH1A1L3MBTL1POLBMAPT
SCHEMBL980203 0.77 TNKS (0.66) ALDH1A1MAPK1TNKSNPC1TSHR
SCHEMBL11851303 0.77 NPC1 (0.56) MKNK1MKNK2HPGDNPC1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108440515-A Substituted benzofuranyl and benzoxazole based compound and application thereof 卡尔约药物治疗公司 2018-08-24 CN disclosed
CN-105492437-B Substituted benzofuranyl and benzoxazolyl compounds and uses thereof 卡尔约药物治疗公司 2018-05-11 CN disclosed