SCHEMBL28097058

SCHEMBL28097058

COC(=O)C(C)Nc1ccc(C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
MCL1 Q07820 1/20 0.52
MMP2 P08253 2/20 0.51
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
IL18 Q14116 1/20 0.45
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
TSHR P16473 2/20 0.42
HTT P42858 2/20 0.42
NLRP3 Q96P20 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42

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
SCHEMBL19707996 0.86 MMP2 (0.47) MEN1KMT2AMCL1MMP2MAPT
SCHEMBL27406586 0.85 MMP2 (0.53) MEN1KMT2AMCL1MMP2MAPT
SCHEMBL27406587 0.85 MMP2 (0.53) MEN1KMT2AMCL1MMP2MAPT
SCHEMBL8389168 0.85 MMP2 (0.53) MEN1KMT2AMCL1MMP2MAPT
Hydrochloric Acid SCHEMBL27433857 0.84 MMP2 (0.46) MEN1KMT2AMCL1MMP2MAPT
SCHEMBL4421079 0.84 MMP2 (0.46) MEN1KMT2AMCL1MMP2MAPT
SCHEMBL4421076 0.84 MMP2 (0.46) MEN1KMT2AMCL1MMP2MAPT
Hydrochloric Acid SCHEMBL29565420 0.83 MMP2 (0.51) MEN1KMT2AMCL1MMP2MAPT
SCHEMBL5014650 0.83 MMP2 (0.54) MEN1KMT2AMCL1MMP2MAPT
SCHEMBL5014651 0.83 MMP2 (0.54) MEN1KMT2AMCL1MMP2MAPT

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-105916499-A 12-epi-pleuromutilins 纳布里瓦治疗股份公司 2016-08-31 CN disclosed