SCHEMBL10473178

SCHEMBL10473178

CCOC(=O)c1cn(C2CC2)c2nc(C3C(=O)N(C)C(=O)N(C)C3=O)c(F)cc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.47
▸ DPP4 P27487 6/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ DRD1 P21728 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.40
▸ HSD17B10 Q99714 4/20 0.40
▸ LMNA P02545 2/20 0.40
▸ ABCC4 O15439 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ TOP2A P11388 2/20 0.39
▸ TOP2B Q02880 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ STAT3 P40763 1/20 0.37
▸ MAPT P10636 1/20 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
SCHEMBL10586645 0.88 DPP4 (0.38) ADRB2DPP4CHRM2DRD1KDM4E
SCHEMBL10471171 0.84 ADRB2 (0.46) ADRB2DPP4CHRM2DRD1KDM4E
SCHEMBL5809336 0.83 ADRB2 (0.53) ADRB2DPP4CHRM2DRD1KDM4E
SCHEMBL10413369 0.82 ADRB2 (0.47) ADRB2DPP4CHRM2DRD1KDM4E
SCHEMBL5422476 0.82 ADRB2 (0.51) ADRB2DPP4CHRM2DRD1KDM4E
SCHEMBL10470860 0.81 ADRB2 (0.48) ADRB2KDM4EHSD17B10LMNAKMT2A
SCHEMBL10413944 0.81 ADRB2 (0.48) ADRB2DPP4CHRM2DRD1KDM4E
SCHEMBL10413945 0.81 ADRB2 (0.48) ADRB2DPP4CHRM2DRD1KDM4E
SCHEMBL10471960 0.81 ADRB2 (0.58) ADRB2CHRM2KMT2AKCNH2TOP2A
SCHEMBL10472546 0.79 ADRB2 (0.49) ADRB2DPP4CHRM2DRD1KDM4E

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
US-4956465-A Bactericides BAYER AKTIENGESELLSCHAFT (DE) 1990-09-11 — — US disclosed
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