SCHEMBL7653456

SCHEMBL7653456

N#Cc1ccc(-c2ncc(OCc3ccccc3)cn2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.69
▸ ALKBH1 Q13686 2/20 0.53
▸ EGLN2 Q96KS0 1/20 0.53
▸ GHSR Q92847 1/20 0.51
▸ XDH P47989 1/20 0.49
▸ AR P10275 1/20 0.49
▸ CYP19A1 P11511 2/20 0.46
▸ GRM2 Q14416 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ HTT P42858 1/20 0.45

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
SCHEMBL7372943 0.84 MAOB (0.89) MAOBEGLN2GHSRARCYP19A1
SCHEMBL28646599 0.84 RAB9A (0.52) MAOBALKBH1MAPTRAB9ALMNA
SCHEMBL403151 0.82 MAOB (1.00) MAOBEGLN2GHSRARCYP19A1
SCHEMBL6534698 0.81 CYP1A2 (0.62) MAOBALKBH1CYP19A1MAPTRAB9A
SCHEMBL28643999 0.80 ALKBH1 (0.47) MAOBALKBH1XDHARRAB9A
SCHEMBL8572314 0.80 NPC1 (0.57) MAOBALKBH1XDHARRAB9A
SCHEMBL28658874 0.80 ALKBH1 (0.50) MAOBALKBH1ARALDH1A1LMNA
SCHEMBL1249162 0.80 MAOB (0.80) MAOBEGLN2GHSRARCYP19A1
SCHEMBL20240306 0.80 MAOB (0.80) MAOBEGLN2GHSRARCYP19A1
SCHEMBL8618909 0.79 MAOB (0.85) MAOBGHSRARCYP19A1RAB9A

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-20020066886-A1 LIQUID CRYSTAL COMPOUNDS, MIXTURES AND DEVICES QINETIQ LIMITED (GB) 2002-06-06 — — US disclosed
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