SCHEMBL21752919

SCHEMBL21752919

O=CNc1ccc(-c2ncon2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
LIMK1 P53667 2/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
KMO O15229 1/20 0.35
PPARA Q07869 1/20 0.35
LMNA P02545 1/20 0.34
GPR119 Q8TDV5 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
F11 P03951 1/20 0.31
KLKB1 P03952 1/20 0.31
KAT6A Q92794 1/20 0.31

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
SCHEMBL5777441 0.77 KMO (0.37) JAK2JAK1KMOPPARALMNA
SCHEMBL21769888 0.77 KMO (0.37) JAK2JAK1KMOPPARAGPR119
SCHEMBL6851712 0.77 BRD4 (0.42) ALDH1A1KMOPPARALMNAGPR119
SCHEMBL21387442 0.75 KMO (0.33) ALDH1A1KMOPPARAKAT6A
SCHEMBL11712888 0.75 ADORA2A (0.41) ALDH1A1LMNAADORA2AADORA1MEN1
SCHEMBL11708534 0.73 KDM4E (0.38) ALDH1A1KMOLMNAGPR119ADORA2A
SCHEMBL6878179 0.71 ALDH1A1 (0.43) ALDH1A1KMOPPARALMNAGPR119
SCHEMBL11708538 0.71 ADORA2A (0.36) ALDH1A1KMOLMNAADORA2AADORA1
SCHEMBL6878182 0.71 ALDH1A1 (0.43) ALDH1A1KMOPPARALMNAGPR119
SCHEMBL5649770 0.70 RAB9A (0.46) ALDH1A1LIMK1LMNAMEN1KMT2A

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
WO-2020038812-A1 NEW PROCESS FOR THE PREPARATION OF AMENAMEVIR RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-02-27 WO disclosed
WO-2020038812-A1 NEW PROCESS FOR THE PREPARATION OF AMENAMEVIR RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-02-27 WO disclosed