SCHEMBL11427052

SCHEMBL11427052

CNc1ccccc1C(=O)CC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
POLB P06746 2/20 0.56
ATM Q13315 1/20 0.56
KMT2A Q03164 3/20 0.41
ERCC5 P28715 2/20 0.41
FEN1 P39748 2/20 0.41
CYP2C19 P33261 1/20 0.41
KCNA3 P22001 1/20 0.40
CRBN Q96SW2 1/20 0.40
ALDH1A1 P00352 5/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
FABP5 Q01469 1/20 0.39
AGTR1 P30556 1/20 0.39
RAB9A P51151 1/20 0.39
GLA P06280 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL11440460 0.83 ERCC5 (0.40) KDM4EPOLBATMKMT2AERCC5
SCHEMBL605325 0.82 KDM4E (0.58) KDM4EPOLBATMKMT2AKCNA3
SCHEMBL19131301 0.82 KDM4E (0.58) KDM4EPOLBATMKMT2AERCC5
SCHEMBL11183506 0.81 FEN1 (0.64) KDM4EPOLBATMKMT2AERCC5
SCHEMBL9796404 0.81 KDM4E (0.56) KDM4EPOLBATMKMT2ACYP2C19
Hydrochloric Acid SCHEMBL8584876 0.81 KDM4E (0.56) KDM4EPOLBATMKMT2AKCNA3
SCHEMBL12809405 0.81 KDM4E (0.56) KDM4EPOLBATMKMT2AERCC5
SCHEMBL11433582 0.80 KMT2A (0.44) KDM4EPOLBATMKMT2AERCC5
SCHEMBL848499 0.79 POLB (0.64) KDM4EPOLBATMKMT2ACYP2C19
SCHEMBL31087257 0.79 POLB (0.64) KDM4EPOLBATMKMT2ACYP2C19

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-4220473-A WITH DIMER ACID-BASED AMINES SUN CHEMICAL CORPORATION (US) 1980-09-02 US disclosed