SCHEMBL9688868

SCHEMBL9688868

CNc1nc(-c2ccc(Br)cc2)ns1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.54
MAPT P10636 7/20 0.53
TP53 P04637 7/20 0.53
THRB P10828 2/20 0.50
RXFP1 Q9HBX9 5/20 0.49
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
HTT P42858 1/20 0.41
POLB P06746 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41

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
SCHEMBL9852227 0.81 NPC1 (0.66) LMNAMAPTTP53RXFP1NPC1
SCHEMBL25083904 0.80 MAPT (0.56) LMNAMAPTTP53RXFP1NPC1
SCHEMBL28952954 0.76 SMN1; SMN2 (0.75) LMNAMAPTTP53THRBRXFP1
SCHEMBL4078154 0.76 TP53 (0.48) LMNAMAPTTP53THRBRXFP1
SCHEMBL32679828 0.73 CYP19A1 (0.66) LMNAMAPTTP53THRBRAB9A
SCHEMBL3979477 0.72 LMNA (0.43) LMNAMAPTTP53THRBRXFP1
SCHEMBL8804007 0.72 LMNA (0.43) LMNAMAPTTP53THRBRXFP1
SCHEMBL9567848 0.71 PTGS1 (0.49) LMNAMAPTTP53THRBRXFP1
SCHEMBL25883843 0.71 CYP19A1 (0.61) LMNAMAPTTP53NPC1RAB9A
SCHEMBL8999461 0.70 PLCG1 (0.51) LMNAMAPTTP53THRBRXFP1

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-0473980-A1 Process for the production of 3-alkoxy-2-heteroazolylamino-acrylic acid esters BAYER AG (DE) 1992-03-11 EP disclosed