SCHEMBL31020137

SCHEMBL31020137

N=C(c1ccccc1)c1ccccc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.50
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CHRNB2 P17787 3/20 0.44
CHRNB4 P30926 3/20 0.44
CHRNA3 P32297 3/20 0.44
CHRNA4 P43681 3/20 0.44
CYP1A2 P05177 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
BCL2L1 Q07817 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HNF4A P41235 1/20 0.42
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
BACE1 P56817 1/20 0.39

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
SCHEMBL23709161 1.00 BCAT2 (0.50) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL28795375 0.87 BCAT2 (0.47) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL28794373 0.81 CYP1A2 (0.52) MEN1KMT2ASMN1; SMN2CYP1A2ALDH1A1
SCHEMBL758247 0.79 HPGD (0.45) KMT2ASMN1; SMN2CYP1A2ALDH1A1HPGD
SCHEMBL5008845 0.77 BCAT2 (0.54) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL5572153 0.77 BCAT2 (0.54) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL4870791 0.77 BCAT2 (0.54) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL1034554 0.76 BCAT2 (0.63) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL19802952 0.76 BCAT2 (0.52) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL32689453 0.76 BCAT2 (0.63) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2

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
CN-118234724-A Compounds and methods for modulating splicing 雷密克斯医疗公司 2024-06-21 CN disclosed