SCHEMBL2722952

SCHEMBL2722952

COC(=O)c1ccc2c(c1)CN(Cc1cccc(N)c1)CC2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.41
ACACB O00763 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TRPA1 O75762 1/20 0.40
CHRM3 P20309 1/20 0.39
ABHD6 Q9BV23 1/20 0.39
IDO1 P14902 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER2 P43116 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 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
SCHEMBL2722964 0.88 MEN1 (0.49) ACACBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2724388 0.87 ACACB (0.41) LOXL2ACACBMEN1KMT2AALDH1A1
SCHEMBL2722211 0.84 IDO1 (0.41) LOXL2ACACBMEN1KMT2AALDH1A1
SCHEMBL2721804 0.82 ACKR3 (0.45) ACACBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6169204 0.82 ACACB (0.43) ACACBALDH1A1CYP3A4CA1CA2
SCHEMBL2721467 0.81 PRMT5 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL6168895 0.79 CYP3A4 (0.47) ACACBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2724597 0.77 PKM (0.42) ACACBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2723930 0.77 CASP3 (0.40) LOXL2ACACBALDH1A1SMN1; SMN2HSD17B10
SCHEMBL2724116 0.76 ALDH1A1 (0.40) ACACBMEN1KMT2AALDH1A1SMN1; SMN2

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-2012054332-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-26 WO disclosed