SCHEMBL28316331

SCHEMBL28316331

COc1ccccc1N(C=O)C(CC(C)C)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.38
ANPEP P15144 2/20 0.38
ESR1 P03372 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
MEN1 O00255 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTT P42858 1/20 0.36
CTSD P07339 1/20 0.35
PAX8 Q06710 1/20 0.35
TLR9 Q9NR96 1/20 0.35

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
SCHEMBL28876091 0.87 ESR1 (0.41) HPGDPOLBKMT2AESR1SMN1; SMN2
SCHEMBL19974842 0.79 KMT2A (0.43) HPGDPOLBKMT2ASMN1; SMN2KDM4E
SCHEMBL19975516 0.77 KMT2A (0.41) HPGDPOLBKMT2ASMN1; SMN2KDM4E
SCHEMBL19974704 0.75 KMT2A (0.47) HPGDPOLBKMT2ASMN1; SMN2KDM4E
SCHEMBL30061792 0.75 KMT2A (0.47) HPGDPOLBKMT2ASMN1; SMN2KDM4E
SCHEMBL19975096 0.74 HPGD (0.47) HPGDKMT2AESR1MTNR1AMTNR1B
SCHEMBL28315348 0.72 KMT2A (0.37) HPGDPOLBKMT2ASMN1; SMN2KDM4E
SCHEMBL21176344 0.69 ALDH1A1 (0.44) HPGDPOLBSMN1; SMN2LMNAHTT
SCHEMBL21183522 0.69 L3MBTL1 (0.46) HPGDKMT2AESR1KDM4ELMNA
SCHEMBL21183534 0.69 MAPK1 (0.40) HPGDPOLBKMT2AESR1LMNA

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-110062753-A Antiviral compounds 哈普洛根有限责任公司 2019-07-26 CN disclosed