SCHEMBL28216628

SCHEMBL28216628

O=C(c1ccc(-c2cc3ccccc3o2)cc1)N1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 11/20 0.66
MKNK2 Q9HBH9 11/20 0.66
EIF4E P06730 6/20 0.66
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
ALDH1A1 P00352 1/20 0.55
TNKS O95271 1/20 0.55
HPGD P15428 1/20 0.55
HRH3 Q9Y5N1 1/20 0.52
TSHR P16473 1/20 0.51

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
SCHEMBL28859698 0.88 MKNK1 (0.66) MKNK1MKNK2EIF4ENPC1RAB9A
SCHEMBL28217090 0.84 ALDH1A1 (0.52) MKNK1MKNK2EIF4EALDH1A1TNKS
SCHEMBL2933369 0.81 ATR (0.67) MKNK1MKNK2EIF4EHPGD
SCHEMBL28217093 0.81 ALDH1A1 (0.51) MKNK1MKNK2EIF4ENPC1RAB9A
SCHEMBL22697152 0.80 MKNK1 (1.00) MKNK1MKNK2EIF4E
SCHEMBL18889298 0.78 MAPT (0.78) NPC1RAB9AALDH1A1HPGD
SCHEMBL8150805 0.77 HPGD (0.76) NPC1RAB9AALDH1A1HPGDTSHR
SCHEMBL980203 0.76 TNKS (0.66) NPC1RAB9AALDH1A1TNKSTSHR
SCHEMBL10720943 0.75 PHGDH (0.81) ALDH1A1HPGDTSHR
SCHEMBL16385826 0.75 HPGD (0.54) MKNK1MKNK2EIF4ENPC1RAB9A

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