SCHEMBL10568546

SCHEMBL10568546

O=c1[nH]cc(C(O)c2ccccn2)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.49
▸ KDM4E B2RXH2 6/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ TDP1 Q9NUW8 3/20 0.40
▸ TP53 P04637 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CYP2C19 P33261 2/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ KCNA5 P22460 1/20 0.35
▸ KCNJ5 P48544 1/20 0.35
▸ KCNJ3 P48549 1/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ KCND3 Q9UK17 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CYP1A2 P05177 2/20 0.35

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
SCHEMBL3048607 0.73 MAPT (0.55) MAPTKDM4EALDH1A1TP53MEN1
SCHEMBL29864658 0.73 MAPT (0.55) MAPTKDM4EALDH1A1TP53MEN1
Hydrochloric Acid SCHEMBL10324019 0.71 MAPT (0.53) MAPTKDM4EALDH1A1TP53MEN1
SCHEMBL28799220 0.71 MAPT (0.53) MAPTKDM4EALDH1A1TP53MEN1
SCHEMBL10501673 0.71 SMN1; SMN2 (0.51) MAPTKDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL20878330 0.69 GAA (0.39) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL10501719 0.68 ALDH1A1 (0.40) MAPTKDM4EALDH1A1TDP1TP53
SCHEMBL4061357 0.67 MAPT (0.46) MAPTKDM4EALDH1A1TP53MEN1
SCHEMBL23610057 0.66 SLC6A2 (0.63) MAPTKDM4EALDH1A1CYP2C19SLC6A2
SCHEMBL10324020 0.66 MAPT (0.49) MAPTKDM4EALDH1A1TDP1TP53

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
US-4803278-A Preparation of 1,3-dihydro-4-pyridoyl-2H-imidazol-2-ones MERRELL DOW PHARMACEUTICALS, INC. (US) 1989-02-07 — — US disclosed
EP-0170214-A1 The preparation of 1,3-Dihydro-4-pyridoyl-2H-imidazol-2-ones MERRELL DOW PHARMACEUTICALS INC. (US) 1986-02-05 — — EP disclosed
Send feedback