SCHEMBL6685986

SCHEMBL6685986

O=C(Nc1cc[c]cc1)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 2/20 0.76
▸ EPHX2 P34913 2/20 0.76
▸ MEN1 O00255 7/20 0.72
▸ KMT2A Q03164 7/20 0.72
▸ NPC1 O15118 5/20 0.72
▸ LMNA P02545 2/20 0.72
▸ HTT P42858 2/20 0.72
▸ ADORA3 P0DMS8 1/20 0.72
▸ CHRM1 P11229 1/20 0.72
▸ SLC6A2 P23975 1/20 0.72
▸ PDE4A P27815 1/20 0.72
▸ ADRA1A P35348 1/20 0.72
▸ OPRM1 P35372 1/20 0.72
▸ PDE3A Q14432 1/20 0.72
▸ NLRP3 Q96P20 1/20 0.72
▸ P2RY1 P47900 1/20 0.65
▸ CA2 P00918 2/20 0.64
▸ CA9 Q16790 2/20 0.64
▸ CA4 P22748 1/20 0.64
▸ CA5A P35218 1/20 0.64

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
SCHEMBL2683478 0.87 EPHX1 (1.00) EPHX1EPHX2MEN1KMT2ANPC1
SCHEMBL30640703 0.87 EPHX1 (1.00) EPHX1EPHX2MEN1KMT2ANPC1
Triclocarban SCHEMBL30479188 0.84 MEN1 (1.00) EPHX1EPHX2MEN1KMT2ANPC1
Triclocarban SCHEMBL27313500 0.84 MEN1 (1.00) EPHX1EPHX2MEN1KMT2ANPC1
Triclocarban SCHEMBL4978963 0.84 MEN1 (1.00) EPHX1EPHX2MEN1KMT2ANPC1
Triclocarban SCHEMBL68658 0.84 MEN1 (1.00) EPHX1EPHX2MEN1KMT2ANPC1
SCHEMBL1877660 0.82 EPHX1 (0.81) EPHX1EPHX2MEN1KMT2ANPC1
SCHEMBL7980937 0.82 EPHX1 (0.81) EPHX1EPHX2MEN1KMT2ANPC1
Triclocarban SCHEMBL10888069 0.82 MEN1 (0.96) EPHX1EPHX2MEN1KMT2ANPC1
SCHEMBL5392875 0.82 HTT (0.62) EPHX1EPHX2MEN1KMT2ANPC1

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
WO-2004080389-A2 HYDROXYEICOSADIENAMIDE COMPOUNDS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-09-23 — — WO disclosed
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