SCHEMBL9727181

SCHEMBL9727181

CCOc1ccc(NC=C2C(=O)N(c3ccc(C)cc3)N=C2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTGS2 P35354 1/20 0.42
CACNA2D1 P54289 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
AMY1A P0DUB6 4/20 0.41
RPS6KA2 Q15349 1/20 0.41
NPBWR1 P48145 2/20 0.40
MCHR1 Q99705 2/20 0.40

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
SCHEMBL9525712 0.98 KMT2A (0.45) KMT2AL3MBTL1MEN1ALDH1A1MAPT
SCHEMBL9524275 0.92 KMT2A (0.53) KMT2AL3MBTL1MEN1ALDH1A1MAPT
SCHEMBL9524314 0.92 KMT2A (0.50) KMT2AL3MBTL1MEN1ALDH1A1MAPT
SCHEMBL9525794 0.82 KMT2A (0.46) KMT2AL3MBTL1MEN1ALDH1A1MAPT
SCHEMBL9526187 0.82 AMY1A (0.57) KMT2AL3MBTL1MEN1ALDH1A1MAPT
SCHEMBL9524224 0.81 KMT2A (0.60) KMT2AL3MBTL1MEN1ALDH1A1MAPT
SCHEMBL9524221 0.81 KMT2A (0.60) KMT2AL3MBTL1MEN1ALDH1A1MAPT
SCHEMBL9525776 0.81 ALDH1A1 (0.53) KMT2AL3MBTL1MEN1ALDH1A1MAPT
SCHEMBL9525479 0.78 KMT2A (0.48) KMT2AL3MBTL1MEN1ALDH1A1MAPT
SCHEMBL17831061 0.76 BCL2 (0.60) KMT2AMEN1ALDH1A1MAPTTDP1

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
US-5162528-A Pre- and post-emergence; phytaphthora in tomato plants; rice and wheat BAYER AKTIENGESELLSCHAFT (DE) 1992-11-10 US claimed