SCHEMBL18645207

SCHEMBL18645207

CC(C)(C)OC(=O)N1CCCC(CNc2ccnc(N(Cc3ccccc3)Cc3ccccc3)c2[N+](=O)[O-])C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 1/20 0.46
▸ HTR6 P50406 6/20 0.45
▸ BCHE P06276 4/20 0.45
▸ IRAK1 P51617 1/20 0.41
▸ KDM1A O60341 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ LCK P06239 1/20 0.40
▸ BRD4 O60885 2/20 0.40
▸ NR1D1 P20393 1/20 0.40
▸ USP30 Q70CQ3 1/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ BUB1 O43683 1/20 0.39
▸ METTL3 Q86U44 1/20 0.39

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
SCHEMBL18645210 0.88 USP30 (0.46) HTR6BCHEJAK2JAK1BRD4
SCHEMBL18645204 0.88 ACKR3 (0.49) ACKR3HTR6BCHEIRAK1KDM1A
SCHEMBL18644661 0.84 BRD4 (0.47) JAK2JAK1BRD4NR1D1USP30
SCHEMBL18645202 0.83 ACKR3 (0.46) ACKR3HTR6BCHEIRAK1KDM1A
SCHEMBL23450710 0.80 ALDH1A1 (0.41) NR1D1USP30
SCHEMBL30111806 0.80 ALDH1A1 (0.41) NR1D1USP30
SCHEMBL18290014 0.80 ALDH1A1 (0.41) NR1D1USP30
SCHEMBL15156453 0.79 BTK (0.47) JAK2JAK1BRD4NR1D1USP30
SCHEMBL16341281 0.79 BTK (0.47) JAK2JAK1BRD4NR1D1USP30
SCHEMBL18285483 0.78 MEN1 (0.40) NR1D1

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-105753863-B Oxo-dihydroimidazopyridine compound and application thereof 东莞市真兴贝特医药技术有限公司 2018-07-31 — — CN disclosed
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
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