SCHEMBL18645210

SCHEMBL18645210

CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccnc(N(Cc3ccccc3)Cc3ccccc3)c2[N+](=O)[O-])C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 5/20 0.46
▸ BRD4 O60885 1/20 0.43
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ ACHE P22303 1/20 0.40
▸ BTK Q06187 2/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ HTR6 P50406 3/20 0.38
▸ NR1D1 P20393 1/20 0.38
▸ BCHE P06276 2/20 0.38
▸ ANO1 Q5XXA6 1/20 0.38
▸ HPGDS O60760 1/20 0.38
▸ PIM1 P11309 2/20 0.37
▸ PIM2 Q9P1W9 2/20 0.37

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
SCHEMBL18644661 0.95 BRD4 (0.47) USP30BRD4JAK2JAK1ACHE
SCHEMBL23450710 0.92 ALDH1A1 (0.41) USP30BTKNR1D1
SCHEMBL30111806 0.92 ALDH1A1 (0.41) USP30BTKNR1D1
SCHEMBL18290014 0.92 ALDH1A1 (0.41) USP30BTKNR1D1
SCHEMBL28233733 0.89 JAK3 (0.38) —
SCHEMBL28233730 0.89 JAK3 (0.38) —
SCHEMBL18645207 0.88 ACKR3 (0.46) USP30BRD4JAK2JAK1ACHE
SCHEMBL16341281 0.88 BTK (0.47) USP30BRD4JAK2JAK1BTK
SCHEMBL15156453 0.88 BTK (0.47) USP30BRD4JAK2JAK1BTK
SCHEMBL18645214 0.87 USP30 (0.48) USP30BRD4JAK2JAK1ACHE

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
WO-2017041536-A1 OXO-DIHYDROIMIDAZO PYRIDINE COMPOUND AND APPLICATIONS THEREOF 东莞市真兴贝特医药技术有限公司 2017-03-16 — — WO disclosed
Send feedback