SCHEMBL21277320

SCHEMBL21277320

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4nnc5ccccc54)c3)n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 2/20 0.46
ALDH1A1 P00352 2/20 0.44
POLB P06746 2/20 0.42
RAB9A P51151 1/20 0.42
KCNMA1 Q12791 1/20 0.42
GRM2 Q14416 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
KMT2A Q03164 3/20 0.39
NT5E P21589 2/20 0.39
MGAM O43451 2/20 0.38
AMY1A P0DUB6 2/20 0.38
GAA P10253 2/20 0.38
SI P14410 2/20 0.38
MGAM2 Q2M2H8 2/20 0.38
MEN1 O00255 1/20 0.38
F2 P00734 1/20 0.38

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
SCHEMBL24330941 0.97 SMN1; SMN2 (0.47) SMN1; SMN2KDM4ENPC1L3MBTL1TSHR
SCHEMBL20180557 0.97 SMN1; SMN2 (0.47) SMN1; SMN2KDM4ENPC1L3MBTL1TSHR
SCHEMBL16271048 0.86 SMN1; SMN2 (0.53) SMN1; SMN2KDM4ENPC1L3MBTL1TSHR
SCHEMBL17655912 0.81 SMN1; SMN2 (0.45) SMN1; SMN2KDM4ENPC1L3MBTL1TSHR
SCHEMBL27409850 0.80 SMN1; SMN2 (0.38) SMN1; SMN2KDM4ENPC1L3MBTL1TSHR
SCHEMBL256011 0.80 SMN1; SMN2 (0.41) SMN1; SMN2KDM4ENPC1L3MBTL1TSHR
SCHEMBL14493125 0.79 PTK2 (0.49) SMN1; SMN2KDM4ENPC1L3MBTL1TSHR
SCHEMBL20725475 0.79 SMN1; SMN2 (0.37) SMN1; SMN2KDM4ENPC1L3MBTL1TSHR
SCHEMBL165333 0.79 SMN1; SMN2 (0.71) SMN1; SMN2KDM4ENPC1L3MBTL1TSHR
SCHEMBL17655966 0.79 SMN1; SMN2 (0.43) SMN1; SMN2KDM4ENPC1L3MBTL1TSHR

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
EP-3140302-B1 MATERIALS FOR ORGANIC LIGHT EMITTING DEVICES MERCK PATENT GMBH (DE) 2019-08-21 EP disclosed