SCHEMBL10413944

SCHEMBL10413944

CCOC(=O)c1cn(C2CC2)c2nc(C3CCN(C(C)=O)CC3)c(F)cc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.48
▸ KDM4E B2RXH2 5/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ KMT2A Q03164 1/20 0.41
▸ DPP4 P27487 5/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ DRD1 P21728 1/20 0.41
▸ HSD17B10 Q99714 5/20 0.40
▸ HPGD P15428 3/20 0.40
▸ TOP2A P11388 1/20 0.39
▸ TOP2B Q02880 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ ABCC4 O15439 1/20 0.38
▸ REV1 Q9UBZ9 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL10413945 1.00 ADRB2 (0.48) ADRB2KDM4EALDH1A1KMT2ADPP4
SCHEMBL10413369 0.85 ADRB2 (0.47) ADRB2KDM4EALDH1A1KMT2ADPP4
SCHEMBL5809336 0.83 ADRB2 (0.53) ADRB2KDM4EALDH1A1KMT2ADPP4
SCHEMBL9730924 0.82 KDM4E (0.55) ADRB2KDM4EALDH1A1KMT2AHSD17B10
SCHEMBL10412661 0.82 ADRB2 (0.44) ADRB2KDM4EALDH1A1KMT2ADPP4
SCHEMBL10412660 0.82 ADRB2 (0.44) ADRB2KDM4EALDH1A1KMT2ADPP4
SCHEMBL10473178 0.81 ADRB2 (0.47) ADRB2KDM4EALDH1A1KMT2ADPP4
SCHEMBL10413898 0.81 ADRB2 (0.44) ADRB2KDM4EALDH1A1KMT2ADPP4
SCHEMBL5422476 0.81 ADRB2 (0.51) ADRB2KDM4EALDH1A1KMT2ADPP4
SCHEMBL10471171 0.80 ADRB2 (0.46) ADRB2KDM4EALDH1A1KMT2ADPP4

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-4945160-A Preparation of certain 7-substituted quinolones WARNER-LAMBERT COMPANY (US) 1990-07-31 — — US disclosed
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