SCHEMBL21756436

SCHEMBL21756436

O=C(O)c1ncnc2ccc(Br)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
RXFP1 Q9HBX9 2/20 0.49
LMNA P02545 6/20 0.49
MAPT P10636 1/20 0.49
ALK Q9UM73 1/20 0.48
HTT P42858 9/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 5/20 0.46
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45
PRNP P04156 1/20 0.45
TSHR P16473 1/20 0.45
MAPK10 P53779 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HPGD P15428 1/20 0.44
MTOR P42345 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
MEN1 O00255 1/20 0.44
GLA P06280 1/20 0.44

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
Ammonia Solution, Strong SCHEMBL3853118 0.98 KDM4E (0.52) KDM4ERXFP1LMNAMAPTALK
SCHEMBL3846705 0.81 LMNA (0.51) KDM4ERXFP1LMNAMAPTALK
SCHEMBL3845935 0.81 HTT (0.56) KDM4ERXFP1LMNAMAPTALK
SCHEMBL29249633 0.81 PARP1 (0.45) KDM4EALKHTTALDH1A1TSHR
SCHEMBL21816339 0.79 L3MBTL1 (0.52) KDM4ELMNAMAPTHTTSMN1; SMN2
SCHEMBL3845613 0.76 IRAK4 (0.43) KDM4ERXFP1LMNAMAPTALK
SCHEMBL934881 0.74 LMNA (0.58) KDM4ELMNAMAPTALKHTT
SCHEMBL2833079 0.74 SMN1; SMN2 (0.52) KDM4ELMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL30902246 0.74 SMN1; SMN2 (0.52) KDM4ELMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL13621687 0.73 RXFP1 (0.70) KDM4ERXFP1LMNAMAPTALK

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-2020041562-A1 SUBSTITUTED IMIDAZOLES FOR THE INHIBITION OF TGF-BETA AND METHODS OF TREATMENT CLAVIUS PHARMACEUTICALS, LLC (US) 2020-02-27 WO disclosed