SCHEMBL29534645

SCHEMBL29534645

COCCOc1ccccc1Br

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.61
MAPT P10636 7/20 0.55
L3MBTL1 Q9Y468 4/20 0.55
RAB9A P51151 6/20 0.54
NPC1 O15118 5/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
HPGD P15428 2/20 0.54
LMNA P02545 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 5/20 0.49
HTT P42858 2/20 0.49
TDP1 Q9NUW8 3/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.45
NFKB1 P19838 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
SCHEMBL262794 1.00 HTR7 (0.61) HTR7MAPTL3MBTL1RAB9ANPC1
SCHEMBL2896629 0.94 MAPT (0.63) HTR7MAPTL3MBTL1RAB9ANPC1
SCHEMBL268119 0.90 MAPT (0.61) HTR7MAPTL3MBTL1RAB9ANPC1
SCHEMBL10798879 0.89 HTR7 (0.67) HTR7MAPTL3MBTL1RAB9ANPC1
SCHEMBL31681465 0.85 MAPT (0.50) HTR7MAPTL3MBTL1RAB9ANPC1
SCHEMBL2974587 0.84 MAPT (0.56) MAPTL3MBTL1RAB9ANPC1CYP1A2
SCHEMBL15286819 0.82 MAPT (0.44) HTR7MAPTL3MBTL1RAB9ANPC1
SCHEMBL2344935 0.82 HTR7 (0.64) HTR7MAPTL3MBTL1RAB9ANPC1
SCHEMBL701534 0.82 HTR7 (0.64) HTR7MAPTL3MBTL1RAB9ANPC1
SCHEMBL755670 0.81 HTR7 (0.53) HTR7MAPTL3MBTL1RAB9ANPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119019388-A 5-And 6-azaindole compounds for inhibiting Bcr-Abl tyrosine kinase 英莱汶公司 2024-11-26 CN disclosed
EP-4225742-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES Enliven Therapeutics, Inc. (US) 2023-08-16 EP disclosed
CN-114874251-A Silicon center chiral silanol and synthetic method thereof 南方科技大学 2022-08-09 CN disclosed
WO-2022076975-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN THERAPEUTICS, INC. (US) 2022-04-14 WO disclosed