SCHEMBL28920292

SCHEMBL28920292

O=C(O)c1cc(N(c2ccccc2)c2ccccc2)ccc1C(=O)c1ccccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.59
▸ MEN1 O00255 3/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ ALDH1A1 P00352 6/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ POLB P06746 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ HPGD P15428 4/20 0.52
▸ CA12 O43570 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ HMGB1 P09429 1/20 0.52
▸ CA4 P22748 1/20 0.52
▸ CA6 P23280 1/20 0.52
▸ CA7 P43166 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ NAPRT Q6XQN6 1/20 0.52
▸ CA14 Q9ULX7 1/20 0.52
▸ RECQL P46063 1/20 0.48

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
SCHEMBL11067738 0.91 KMT2A (0.72) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL30009645 0.91 KMT2A (0.72) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL22939380 0.86 KMT2A (0.58) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL22939383 0.85 MEN1 (0.82) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL28522125 0.81 ALDH1A1 (0.84) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL22939382 0.80 CA12 (0.60) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL10869821 0.79 MEN1 (0.57) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL1334176 0.79 ALDH1A1 (0.74) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL22939381 0.79 CDC25B (0.66) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL22939140 0.78 ALDH1A1 (0.65) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1

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-115356315-A Method for detecting hydrogen sulfide by fluorane derivative probe 沈阳感光化工研究院有限公司 2022-11-18 — — CN disclosed
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