SCHEMBL19781533

SCHEMBL19781533

CC(=O)c1ccc(-c2ccc(C=N)c(Nc3ccc(OC(C)C)cc3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
TP53 P04637 3/20 0.45
AKR1C3 P42330 3/20 0.42
AKR1C2 P52895 3/20 0.42
GLA P06280 1/20 0.41
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
CSF1R P07333 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ACP1 P24666 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
SCHEMBL19781532 0.89 ACP1 (0.46) MAPTTP53GLAACACBACACA
SCHEMBL19781139 0.77 ACP1 (0.41) MAPTTP53HDAC3HDAC1HDAC2
SCHEMBL30837260 0.76 KMT2A (0.63) MAPTGLAACACBACACALMNA
SCHEMBL19781791 0.76 ACP1 (0.40) MAPTTP53AKR1C3AKR1C2GLA
SCHEMBL103890 0.71 KMT2A (0.70) MAPTTP53GLALMNAALDH1A1
SCHEMBL3717485 0.71 KMT2A (0.49) MAPTTP53AKR1C3AKR1C2GLA
SCHEMBL19781774 0.70 ACP1 (0.45) MAPTTP53GLAACACBACACA
SCHEMBL4105007 0.70 GLA (0.61) MAPTTP53GLALMNAHTT
SCHEMBL4215577 0.69 AKR1C3 (0.52) MAPTAKR1C3AKR1C2RXRARXRB
SCHEMBL185920 0.68 ALDH1A1 (0.56) MAPTAKR1C3AKR1C2LMNAHTT

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
WO-2018013430-A2 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ARENAVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2018-01-18 WO disclosed