SCHEMBL28100682

SCHEMBL28100682

CCCCCCc1ccc(-c2ncnc(-c3ccc(Br)cc3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ MAPT P10636 4/20 0.55
▸ HSD17B10 Q99714 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ USP2 O75604 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ NPC1 O15118 3/20 0.51
▸ NFKB1 P19838 2/20 0.51
▸ NFKB2 Q00653 2/20 0.51
▸ RELA Q04206 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ RARB P10826 6/20 0.47
▸ RARA P10276 1/20 0.47
▸ MTOR P42345 1/20 0.47

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
SCHEMBL13549537 0.92 ALDH1A1 (0.62) RAB9ASMN1; SMN2ALDH1A1MAPTHSD17B10
SCHEMBL15762285 0.91 ALDH1A1 (0.56) RAB9ASMN1; SMN2ALDH1A1MAPTHSD17B10
SCHEMBL12128134 0.91 ALDH1A1 (0.56) RAB9ASMN1; SMN2ALDH1A1MAPTHSD17B10
SCHEMBL1659837 0.91 ALDH1A1 (0.56) RAB9ASMN1; SMN2ALDH1A1MAPTHSD17B10
SCHEMBL10057499 0.89 ALDH1A1 (0.55) RAB9ASMN1; SMN2ALDH1A1MAPTHSD17B10
SCHEMBL13549532 0.86 RAB9A (0.53) RAB9ASMN1; SMN2ALDH1A1MAPTHSD17B10
SCHEMBL1660424 0.84 RAB9A (0.59) RAB9ASMN1; SMN2ALDH1A1MAPTHSD17B10
SCHEMBL13539898 0.84 ALDH1A1 (0.50) RAB9ASMN1; SMN2ALDH1A1MAPTHSD17B10
SCHEMBL17928942 0.84 ALDH1A1 (0.50) RAB9ASMN1; SMN2ALDH1A1MAPTHSD17B10
SCHEMBL16784541 0.84 ALDH1A1 (0.50) RAB9ASMN1; SMN2ALDH1A1MAPTHSD17B10

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-103460428-B The preparation method of electronic equipment, macromolecular compound, organic compound and macromolecular compound 住友化学株式会社 2016-09-07 — — CN disclosed
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