SCHEMBL20274643

SCHEMBL20274643

C=C(C)C(=O)c1ccccc1NC

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
KDM4E B2RXH2 2/20 0.56
ATM Q13315 1/20 0.56
CYP2C19 P33261 3/20 0.49
NPC1 O15118 7/20 0.44
RAB9A P51151 7/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
ALDH1A1 P00352 5/20 0.39
RECQL P46063 1/20 0.39
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
FABP5 Q01469 1/20 0.39
CYP1A2 P05177 1/20 0.39
DHODH Q02127 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL27723917 0.84 POLB (0.60) POLBKDM4EATMCYP2C19NPC1
SCHEMBL27367839 0.83 CYP2C19 (0.47) POLBKDM4EATMCYP2C19NPC1
SCHEMBL10533216 0.81 ALDH1A1 (0.43) POLBKDM4EATMCYP2C19SMN1; SMN2
SCHEMBL28392229 0.80 POLB (0.67) POLBKDM4EATMCYP2C19NPC1
SCHEMBL8574363 0.79 POLB (0.53) POLBKDM4EATMCYP2C19RAB9A
SCHEMBL848499 0.79 POLB (0.64) POLBKDM4EATMCYP2C19SMN1; SMN2
SCHEMBL31087257 0.79 POLB (0.64) POLBKDM4EATMCYP2C19SMN1; SMN2
Hydrochloric Acid SCHEMBL15974089 0.78 POLB (0.62) POLBKDM4EATMCYP2C19SMN1; SMN2
Hydrochloric Acid SCHEMBL28447296 0.78 POLB (0.52) POLBKDM4EATMCYP2C19NPC1
SCHEMBL6883754 0.78 RAB9A (0.47) POLBKDM4ECYP2C19NPC1RAB9A

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
EP-3336080-A1 NOVEL COMPOUND, PRODUCTION METHOD THEREFOR, AND USE OF SAID COMPOUND Microbial Chemistry Research Foundation (JP) 2018-06-20 EP disclosed