SCHEMBL8296822

SCHEMBL8296822

CC(F)(F)c1cc2ccccn2c1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ ALDH1A1 P00352 7/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MARK4 Q96L34 2/20 0.38
▸ PKM P14618 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP8 P22894 1/20 0.36
▸ KIF11 P52732 1/20 0.35
▸ MBD2 Q9UBB5 1/20 0.35
▸ AKR1C3 P42330 1/20 0.35
▸ AKR1C2 P52895 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL2092577 0.90 MAPT (0.44) MAPTRAB9AALDH1A1MAPK1L3MBTL1
SCHEMBL2094210 0.68 ALDH1A1 (0.51) MAPTRAB9AALDH1A1KMT2AMARK4
SCHEMBL1827846 0.66 PTGS1 (0.40) MAPTRAB9AALDH1A1MAPK1PKM
SCHEMBL17620582 0.65 RAD51 (0.47) MAPTRAB9AALDH1A1MAPK1L3MBTL1
SCHEMBL1852148 0.64 MAPT (0.54) MAPTRAB9AALDH1A1MAPK1L3MBTL1
SCHEMBL23495290 0.63 ALDH1A1 (0.58) MAPTALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL4427347 0.63 ALDH1A1 (0.55) MAPTALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL28350522 0.63 ALDH1A1 (0.50) MAPTRAB9AALDH1A1L3MBTL1KMT2A
SCHEMBL2320664 0.63 CA1 (0.56) MAPTALDH1A1MAPK1KIF11POLB
SCHEMBL27444638 0.63 MAPK1 (0.67) MAPTRAB9AALDH1A1MAPK1L3MBTL1

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-2005009539-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS, CORP. (US) 2005-02-03 — — WO disclosed
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