SCHEMBL5792361

SCHEMBL5792361

CCCCN(C)c1ccc(N)c(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.45
▸ CDC25B P30305 1/20 0.45
▸ CASP6 P55212 1/20 0.45
▸ RCE1 Q9Y256 1/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ GFER P55789 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ POLB P06746 2/20 0.44
▸ MCL1 Q07820 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ RECQL P46063 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ GAA P10253 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
SCHEMBL17779281 0.88 MAPT (0.47) MAPTALDH1A1KDM4EKMT2APOLB
SCHEMBL6790825 0.80 ALDH1A1 (0.43) MAPTALDH1A1CDC25BCASP6RCE1
SCHEMBL17774956 0.79 IKBKB (0.41) MAPTALDH1A1CDC25BCASP6RCE1
SCHEMBL5791745 0.78 MAPT (0.56) MAPTALDH1A1KDM4EPOLBGAA
SCHEMBL297278 0.77 KDM4E (0.57) MAPTALDH1A1CDC25BCASP6RCE1
SCHEMBL11545057 0.76 S100B (0.56) MAPTALDH1A1CDC25BCASP6RCE1
Hydrochloric Acid SCHEMBL3016561 0.76 KMT2A (0.58) MAPTALDH1A1CDC25BCASP6RCE1
Hydrochloric Acid SCHEMBL1323656 0.76 KMT2A (0.58) MAPTALDH1A1CDC25BCASP6RCE1
SCHEMBL9458908 0.74 MAPT (0.54) MAPTALDH1A1KMT2APOLBMEN1
SCHEMBL1082978 0.74 ALDH1A1 (0.45) MAPTALDH1A1CDC25BCASP6RCE1

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-2006012577-A2 QUINAZOLINONE DERIVATIVES USEFUL FOR THE REGULATION OF GLUCOSE HOMEOSTASIS AND FOOD INTAKE BAYER PHARMACEUTICALS CORPORATION (US) 2006-02-02 — — WO disclosed
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