SCHEMBL23319601

SCHEMBL23319601

C=C(C)/C(C)=C(C#N)\C=C(/C=N)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ PRSS1 P07477 1/20 0.30
▸ PRSS2 P07478 1/20 0.30
▸ C1S P09871 1/20 0.30
▸ PRSS3 P35030 1/20 0.30
▸ RECQL P46063 1/20 0.30

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
SCHEMBL21060996 0.67 DEGS1 (0.39) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL21757292 0.67 KMT2A (0.39) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL28045077 0.65 F2 (0.39) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL18962596 0.65 F2 (0.39) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL13570230 0.65 ALDH1A1 (0.33) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL23320218 0.65 PARP1 (0.37) KMT2AMEN1ALDH1A1MAPT
SCHEMBL20866944 0.63 BLM (0.41) KMT2AMEN1ALDH1A1MAPK1PRSS1
SCHEMBL31512537 0.62 KMT2A (0.44) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL28174232 0.62 TDP1 (0.50) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL10078738 0.62 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1MAPTMAPK1

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-2021087144-A1 THERAPEUTIC METHODS USING VADADUSTAT AKEBIA THERAPEUTICS, INC. (US) 2021-05-06 — — WO disclosed
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