SCHEMBL30952891

SCHEMBL30952891

Brc1cc2cc3c(cc2cc1Br)OCO3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
CA2 P00918 1/20 0.40
CYP3A4 P08684 1/20 0.39
AHR P35869 1/20 0.39
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38
BAK1 Q16611 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
CASP3 P42574 2/20 0.37
SENP7 Q9BQF6 2/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAOB P27338 1/20 0.36
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL23625930 1.00 L3MBTL1 (0.40) L3MBTL1CA2CYP3A4AHRBCL2L1
SCHEMBL1751672 0.86 AHR (0.53) CYP3A4AHRABCG2MEN1KMT2A
SCHEMBL30952913 0.84 MAPT (0.45) L3MBTL1AHRMEN1KMT2ANPC1
SCHEMBL23625921 0.84 MAPT (0.45) L3MBTL1AHRMEN1KMT2ANPC1
SCHEMBL24824320 0.80 SMN1; SMN2 (0.50) L3MBTL1AHRMEN1KMT2ANPC1
SCHEMBL30040831 0.78 MAPT (0.55) L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL3133466 0.77 CYP2A6 (0.48) CYP3A4AHRBCL2L1MCL1BAK1
SCHEMBL8930679 0.73 ABCG2 (0.53) L3MBTL1CYP3A4MCL1ABCG2MEN1
SCHEMBL28477527 0.72 AHR (0.44) L3MBTL1CA2CYP3A4AHRPOLB
SCHEMBL1650073 0.72 L3MBTL1 (0.39) L3MBTL1CA2CYP3A4BCL2L1MCL1

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-113767090-B Tricyclic compound, preparation method and medical application thereof 中国医药研究开发中心有限公司 2024-05-28 CN disclosed