SCHEMBL10379314

SCHEMBL10379314

CCOC(=O)c1cc(F)c(Cl)nc1Cl.Cc1c(F)c(Cl)nc2c1c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 6/20 0.44
▸ TOP2B Q02880 6/20 0.44
▸ KCNH2 Q12809 3/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ ADRB2 P07550 1/20 0.40
▸ KEAP1 Q14145 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39
▸ DPP4 P27487 2/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ GSK3B P49841 2/20 0.36

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
SCHEMBL7576170 0.88 STAT3 (0.44) TOP2ATOP2BKCNH2HRH3ADRB2
SCHEMBL5874340 0.85 TOP2A (0.53) TOP2ATOP2BKCNH2HRH3DPP4
SCHEMBL5422476 0.80 ADRB2 (0.51) TOP2ATOP2BADRB2DPP4CHRM2
SCHEMBL9088413 0.77 TOP2A (0.48) TOP2ATOP2BKCNH2HRH3DPP4
SCHEMBL14143512 0.76 TOP2A (0.51) TOP2ATOP2BKCNH2HRH3MEN1
SCHEMBL9688663 0.74 TOP2A (0.55) TOP2ATOP2BKCNH2MEN1KMT2A
SCHEMBL9278706 0.74 TOP2A (0.44) TOP2ATOP2BKCNH2HRH3DPP4
SCHEMBL500472 0.74 DPP4 (0.57) TOP2ATOP2BDPP4CHRM2DRD1
SCHEMBL30181222 0.73 ADRB2 (0.50) TOP2ATOP2BKCNH2HRH3ADRB2
SCHEMBL5507636 0.73 ADRB2 (0.50) TOP2ATOP2BKCNH2HRH3ADRB2

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
EP-0398967-A1 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1990-11-28 — — EP disclosed
WO-1989006649-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1989-07-27 — — WO disclosed
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