SCHEMBL28535313

SCHEMBL28535313

CC(C#N)C(=O)c1ccnc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PREP P48147 10/20 0.46
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
NSD2 O96028 1/20 0.41
FAP Q12884 3/20 0.40
PITRM1 Q5JRX3 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR2 P34972 1/20 0.39

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
SCHEMBL13100925 0.83 NSD2 (0.46) PREPNSD2FAPMEN1KMT2A
SCHEMBL28540686 0.81 NSD2 (0.44) PREPNSD2FAPMEN1KMT2A
SCHEMBL28535856 0.80 KMT2A (0.49) PREPNSD2FAPMEN1KMT2A
SCHEMBL28530340 0.78 NSD2 (0.42) PREPNSD2FAPCNR2
SCHEMBL28540688 0.78 NSD2 (0.45) PREPNSD2FAP
SCHEMBL31468412 0.76 NR4A1 (0.52) MEN1KMT2ACNR2
SCHEMBL827639 0.74 MEN1 (0.47) NSD2MEN1KMT2A
SCHEMBL23193358 0.73 NCF1 (0.50) NSD2
SCHEMBL6824375 0.73 ALDH1A1 (0.47) PREPFAPMEN1KMT2A
SCHEMBL1856898 0.73 SLC6A2 (0.44)

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-109467549-B Quinoline-substituted chalcone compound, preparation method and application thereof 中国药科大学 2021-02-09 CN disclosed