SCHEMBL2722964

SCHEMBL2722964

COC(=O)c1ccc2c(c1)CN(Cc1ccccc1)CC2=O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 2/20 0.47
ACACB O00763 2/20 0.46
CHRM4 P08173 1/20 0.45
CFTR P13569 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CHKA P35790 1/20 0.42
THRB P10828 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL2722952 0.88 LOXL2 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL2724388 0.88 ACACB (0.41) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1205833 0.86 ACACB (0.55) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL6168895 0.85 CYP3A4 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL3095011 0.85 ACACB (0.54) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL2722211 0.84 IDO1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL6169204 0.84 ACACB (0.43) ALDH1A1ACACBCHKACA1CA2
SCHEMBL2721804 0.83 ACKR3 (0.45) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL6171960 0.82 MAPT (0.51) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL2724597 0.81 PKM (0.42) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10

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