SCHEMBL4776572

SCHEMBL4776572

Nc1ccc(-c2nc(OCCc3ccccc3)cc(C3CCCCC3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
LTB4R Q15722 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA1 P30542 1/20 0.37
ALOX5 P09917 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL4780673 0.85 CYP11B1 (0.45) MEN1MAPTKMT2ALTB4RALOX5
SCHEMBL4796171 0.79 PTH1R (0.46)
SCHEMBL27994781 0.71
SCHEMBL6431579 0.70 NUDT1 (0.43) NPC1RAB9AALDH1A1
SCHEMBL4774100 0.68 NOS3 (0.42) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL27651701 0.66 MAPT (0.45) NPC1RAB9AMEN1ALDH1A1MAPT
SCHEMBL4778323 0.66 NOS3 (0.43) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL7150939 0.66 NPC1 (0.67) NPC1RAB9AMEN1ALDH1A1MAPT
SCHEMBL11783221 0.65 ALDH1A1 (0.42) NPC1RAB9AMEN1ALDH1A1MAPT
SCHEMBL4776778 0.65 NFE2L2 (0.44) MEN1ALDH1A1MAPTHPGDKMT2A

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-2008009963-A2 PYRIMIDINE DERIVATIVES AS MODULATORS OF PARATHYROID HORMONE RECEPTORS JAMES BLACK FOUNDATION LIMITED (GB) 2008-01-24 WO disclosed