SCHEMBL25624854

SCHEMBL25624854

CN(C)c1ccc(-c2nc3cc(Br)ccc3o2)cn1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 7/20 0.73
▸ NPC1 O15118 6/20 0.47
▸ RAB9A P51151 6/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ RXFP1 Q9HBX9 2/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ KDM4E B2RXH2 4/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ TP53 P04637 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ CETP P11597 1/20 0.42
▸ CEPT1 Q9Y6K0 1/20 0.42
▸ ADK P55263 1/20 0.42
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41

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
SCHEMBL3181783 0.84 APP (1.00) APPNPC1RAB9AMEN1KMT2A
SCHEMBL3190436 0.82 APP (0.70) APPNPC1RAB9AMEN1KMT2A
SCHEMBL27188287 0.82 APP (0.49) APPNPC1RAB9AMEN1KMT2A
SCHEMBL25624847 0.80 NPC1 (0.53) APPNPC1RAB9AMEN1KMT2A
SCHEMBL25624863 0.79 APP (0.65) APPNPC1RAB9AMEN1KMT2A
SCHEMBL10173054 0.78 HDAC6 (0.64) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL3181272 0.76 APP (0.84) APPNPC1RAB9AESR1ESR2
SCHEMBL2245900 0.76 NPC1 (0.76) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL17929625 0.75 APP (0.59) APPNPC1RAB9AMEN1KMT2A
SCHEMBL17929628 0.75 APP (0.59) APPNPC1RAB9AMEN1KMT2A

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-2023109745-A1 SMALL-MOLECULE PROBE FOR IMAGING OF α-SYNUCLEIN AGGREGATE 复旦大学 2023-06-22 — — WO disclosed
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