SCHEMBL5308535

SCHEMBL5308535

CC(C)(C)CCNc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.43
▸ RPS6KA2 Q15349 1/20 0.41
▸ SSTR3 P32745 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPK14 Q16539 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ KCNH3 Q9ULD8 2/20 0.37
▸ NAMPT P43490 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36

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
SCHEMBL5335241 0.88 KCNH3 (0.41) MAPTSSTR3MEN1KMT2AMAPK1
SCHEMBL5309004 0.86 KCNH3 (0.44) MAPTMEN1KMT2AMAPK1NPC1
SCHEMBL21800004 0.81 APP (0.44) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL13167595 0.81 HRH3 (0.49) MAPTMEN1KMT2AMAPK1NPC1
SCHEMBL12932913 0.80 ALDH1A1 (0.40) MAPTRPS6KA2MEN1KMT2AMAPK1
SCHEMBL4762870 0.80 MAPT (0.56) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL5471155 0.78 MAPT (0.38) MAPTHTTGAAALDH1A1
SCHEMBL2064760 0.78 MAPT (0.57) MAPTRPS6KA2MEN1KMT2AGAA
SCHEMBL24848921 0.78 ALDH1A1 (0.43) MAPTMEN1KMT2ANPC1HTT
SCHEMBL171858 0.77 KMT2A (0.38) MAPTRPS6KA2MEN1KMT2AMAPK1

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-2007038571-A2 PROLYL HYDROXYLASE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-05 — — WO disclosed
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