SCHEMBL27865680

SCHEMBL27865680

O=C(Cc1ccccc1)Nc1ccc(-c2ccc3ncc(N4CCN(C(=O)O)CC4)nc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 5/20 0.49
▸ HCAR2 Q8TDS4 4/20 0.48
▸ SLC2A1 P11166 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ NR4A1 P22736 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ NPY2R P49146 1/20 0.44
▸ HCRTR1 O43613 1/20 0.43
▸ HCRTR2 O43614 1/20 0.43

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
SCHEMBL10179570 0.93 CKS1B (0.48) WNT3AHCAR2SLC2A1MEN1KMT2A
SCHEMBL1442145 0.92 SLC2A1 (0.49) WNT3AHCAR2SLC2A1MEN1KMT2A
SCHEMBL1443467 0.91 KMT2A (0.54) WNT3ASLC2A1MEN1KMT2ANPC1
SCHEMBL1443409 0.91 MAPT (0.56) WNT3ASLC2A1MEN1KMT2ANPC1
SCHEMBL1442762 0.91 WNT3A (0.52) WNT3AHCAR2SLC2A1MEN1KMT2A
SCHEMBL1442901 0.91 WNT3A (0.50) WNT3AHCAR2SLC2A1MEN1KMT2A
SCHEMBL1442689 0.90 SMN1; SMN2 (0.56) WNT3ASLC2A1MEN1KMT2ANPC1
SCHEMBL1442818 0.90 WNT3A (0.47) WNT3AHCAR2SLC2A1MEN1KMT2A
SCHEMBL1442520 0.90 WNT3A (0.48) WNT3AHCAR2SLC2A1MEN1KMT2A
SCHEMBL10180949 0.90 NPC1 (0.57) WNT3ASLC2A1MEN1KMT2ANPC1

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
CN-102596932-A Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER SCHERING PHARMA AG 2012-07-18 — — CN claimed
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