SCHEMBL29954842

SCHEMBL29954842

COc1cccc(C=O)c1OCC(=O)NCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
SMN1; SMN2 Q16637 3/20 0.57
ALDH1A1 P00352 3/20 0.56
MAPT P10636 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
GAA P10253 2/20 0.56
LMNA P02545 1/20 0.56
MEN1 O00255 3/20 0.55
RAB9A P51151 1/20 0.54
HPGD P15428 3/20 0.53
PKM P14618 2/20 0.53
TP53 P04637 1/20 0.50
GLA P06280 1/20 0.50
SRC P12931 1/20 0.50
PDE4D Q08499 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL29952197 0.86 ALDH1A1 (0.56) KMT2ASMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL29956005 0.84 SMN1; SMN2 (0.66) KMT2ASMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL2556798 0.84 HSD17B10 (0.53) KMT2ASMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL20150988 0.83 SRC (0.56) ALDH1A1MAPTNPSR1LMNARAB9A
SCHEMBL9263271 0.83 SMN1; SMN2 (0.68) KMT2ASMN1; SMN2ALDH1A1NPSR1GAA
SCHEMBL2555240 0.83 SRC (0.56) KMT2ASMN1; SMN2ALDH1A1NPSR1LMNA
SCHEMBL2554954 0.83 SRC (0.50) KMT2ASMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL2557724 0.83 SRC (0.50) KMT2ASMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL2556757 0.83 SRC (0.50) KMT2AALDH1A1MAPTNPSR1GAA
SCHEMBL15330855 0.83 HPGD (0.55) KMT2AMAPTNPSR1RAB9AHPGD

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed