SCHEMBL30952913

SCHEMBL30952913

Brc1cc2cc3c(cc2cc1Br)OCCO3

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
BLM P54132 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.39
AHR P35869 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
MAOB P27338 1/20 0.36
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HPGD P15428 2/20 0.33
TSHR P16473 1/20 0.33
CRHBP P24387 1/20 0.33

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
SCHEMBL23625921 1.00 MAPT (0.45) MAPTLMNAHTTBLMSMN1; SMN2
SCHEMBL30040831 0.93 MAPT (0.55) MAPTLMNAHTTBLMSMN1; SMN2
SCHEMBL24824320 0.90 SMN1; SMN2 (0.50) MAPTLMNAHTTBLMSMN1; SMN2
SCHEMBL3526305 0.86 AHR (0.53) MAPTLMNAHTTBLMSMN1; SMN2
SCHEMBL30952891 0.84 L3MBTL1 (0.40) SMN1; SMN2AHRKMT2AMEN1L3MBTL1
SCHEMBL23625930 0.84 L3MBTL1 (0.40) SMN1; SMN2AHRKMT2AMEN1L3MBTL1
SCHEMBL30041891 0.80 MAPT (0.47) MAPTLMNAHTTBLMSMN1; SMN2
SCHEMBL14583969 0.79 MAPT (0.61) MAPTLMNAHTTBLMSMN1; SMN2
SCHEMBL31633230 0.79 MAPT (0.61) MAPTLMNAHTTBLMSMN1; SMN2
SCHEMBL24824322 0.77 SMN1; SMN2 (0.43) MAPTLMNAHTTBLMSMN1; SMN2

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