SCHEMBL11007879

SCHEMBL11007879

CCC(=O)Oc1ccccc1Oc1ccnc2ncccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ TGFBR1 P36897 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.36
▸ PDE5A O76074 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ELANE P08246 1/20 0.35
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL28126381 0.75 MAPT (0.44) KMT2AALDH1A1MAPTCYP3A4NPC1
SCHEMBL8435546 0.74 ALOX15 (0.55) KMT2AALDH1A1ALOX15KDM4EL3MBTL1
SCHEMBL3832725 0.74 CYP19A1 (0.47) KMT2AALDH1A1KDM4EL3MBTL1NPSR1
SCHEMBL28169221 0.73 FABP5 (0.49) KMT2AALDH1A1MAPTNPSR1SMN1; SMN2
SCHEMBL28006254 0.72 KDM4E (0.55) KMT2AALDH1A1KDM4EPDE5ANPSR1
SCHEMBL29852338 0.72 P2RX7 (0.44) ALOX15L3MBTL1ELANESMN1; SMN2
SCHEMBL9487319 0.71 TDP1 (0.52) KMT2AALDH1A1MAPTELANETDP1
SCHEMBL27690138 0.71 LMNA (0.45) KMT2AALOX15KDM4EL3MBTL1CYP3A4
SCHEMBL9858688 0.71 HCAR3 (0.47) KMT2AALDH1A1KDM4EHCAR2NPC1
SCHEMBL1533873 0.71 CYP3A4 (0.43) KMT2AALDH1A1ALOX15KDM4EL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4536208-A Certain naphthyridine diether compounds and their herbicidal use THE DOW CHEMICAL COMPANY (US) 1985-08-20 — — US disclosed
US-4533381-A Naphthyridinyloxy(or thio)phenoxy propanoic acids, derivatives thereof and methods of herbicidal use THE DOW CHEMICAL COMPANY (US) 1985-08-06 — — US disclosed
US-4472193-A Naphthyridinyloxy(or thio)phenoxy propanoic acids, derivatives thereof and methods of herbicidal use THE DOW CHEMICAL COMPANY (US) 1984-09-18 — — US disclosed
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