SCHEMBL6686025

SCHEMBL6686025

O=C(Nc1c[c]ccc1)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 2/20 0.67
▸ EPHX2 P34913 2/20 0.67
▸ MEN1 O00255 7/20 0.59
▸ NPC1 O15118 7/20 0.59
▸ KMT2A Q03164 7/20 0.59
▸ LMNA P02545 2/20 0.59
▸ HTT P42858 2/20 0.59
▸ ADORA3 P0DMS8 1/20 0.59
▸ CHRM1 P11229 1/20 0.59
▸ SLC6A2 P23975 1/20 0.59
▸ PDE4A P27815 1/20 0.59
▸ ADRA1A P35348 1/20 0.59
▸ OPRM1 P35372 1/20 0.59
▸ PDE3A Q14432 1/20 0.59
▸ NLRP3 Q96P20 1/20 0.59
▸ CBS P35520 1/20 0.58
▸ P2RY1 P47900 1/20 0.58
▸ CA2 P00918 1/20 0.57
▸ CA4 P22748 1/20 0.57
▸ CA5A P35218 1/20 0.57

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
SCHEMBL3432321 0.84 KDR (0.72) CA2CA9KDR
SCHEMBL27659146 0.83 MAPT (0.54) EPHX1EPHX2MEN1NPC1KMT2A
SCHEMBL30640703 0.82 EPHX1 (1.00) EPHX1EPHX2MEN1NPC1KMT2A
SCHEMBL2683478 0.82 EPHX1 (1.00) EPHX1EPHX2MEN1NPC1KMT2A
SCHEMBL6685986 0.81 EPHX1 (0.76) EPHX1EPHX2MEN1NPC1KMT2A
SCHEMBL26986245 0.81 MEN1 (0.62) MEN1NPC1KMT2ALMNARAB9A
SCHEMBL11651251 0.81 NPC1 (0.68) EPHX1EPHX2MEN1NPC1KMT2A
SCHEMBL7980937 0.80 EPHX1 (0.81) EPHX1EPHX2MEN1NPC1KMT2A
SCHEMBL2518709 0.79 SMN1; SMN2 (0.65) EPHX1EPHX2MEN1NPC1KMT2A
SCHEMBL457521 0.78 MEN1 (0.79) EPHX1EPHX2MEN1NPC1KMT2A

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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