SCHEMBL28975051

SCHEMBL28975051

CC(=O)Oc1cccc(-c2ccnnn2)c1OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.47
▸ PTPN1 P18031 1/20 0.39
▸ KDM4E B2RXH2 5/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ BLM P54132 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HPGD P15428 3/20 0.38
▸ HTT P42858 3/20 0.38
▸ TTR P02766 2/20 0.38
▸ ADORA3 P0DMS8 2/20 0.38
▸ ADORA2A P29274 2/20 0.38
▸ ADORA1 P30542 2/20 0.38
▸ LMNA P02545 2/20 0.38

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
SCHEMBL12483491 0.86 ACHE (0.46) MAPK1PTPN1KDM4EALDH1A1MAPT
SCHEMBL12483485 0.78 PTPN1 (0.42) MAPK1PTPN1KDM4EALDH1A1MAPT
SCHEMBL5212814 0.73 MAPK1 (0.71) MAPK1PTPN1KDM4EALDH1A1MAPT
SCHEMBL12484088 0.72 POLB (0.35) KDM4EALDH1A1MAPTKMT2APOLB
SCHEMBL6313351 0.71 MPL (0.47) MAPK1PTPN1KDM4EALDH1A1MAPT
SCHEMBL9365438 0.71 MAPK1 (0.46) MAPK1PTPN1KDM4EALDH1A1MAPT
SCHEMBL8676657 0.71 MAPK1 (0.60) MAPK1PTPN1KDM4EALDH1A1MAPT
SCHEMBL148972 0.69 RAB9A (0.48) KDM4EALDH1A1MAPTKMT2APOLB
SCHEMBL30702995 0.69 RAB9A (0.48) KDM4EALDH1A1MAPTKMT2APOLB
SCHEMBL10596845 0.69 MAPK1 (0.57) MAPK1PTPN1KDM4EALDH1A1MAPT

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
CN-115698049-A Cosmetic composition comprising dragline spider silk 赛威克斯材料科学公司 2023-02-03 — — CN disclosed
Send feedback