SCHEMBL27995015

SCHEMBL27995015

Brc1ccc2c(c1)[nH]c1c(-c3cccnc3Br)cccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.44
▸ TDO2 P48775 1/20 0.44
▸ AR P10275 1/20 0.41
▸ CDK5 Q00535 4/20 0.41
▸ CDK5R1 Q15078 4/20 0.41
▸ CCNB2 O95067 3/20 0.41
▸ CDK1 P06493 3/20 0.41
▸ CCNB1 P14635 3/20 0.41
▸ CCNB3 Q8WWL7 3/20 0.41
▸ GSK3B P49841 3/20 0.41
▸ PIM3 Q86V86 1/20 0.40
▸ CCNT1 O60563 1/20 0.39
▸ CCNE2 O96020 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ EIF2AK2 P19525 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CCND1 P24385 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CDK9 P50750 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
SCHEMBL20600847 0.85 BCHE (0.51) IDO1TDO2CDK5CDK5R1CCNB2
SCHEMBL21070513 0.74 MAPT (0.49) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL27977982 0.74 AR (0.51) IDO1TDO2ARCDK5CDK5R1
SCHEMBL29755083 0.74 AR (0.51) IDO1TDO2ARCDK5CDK5R1
SCHEMBL28569909 0.72 AR (0.51) IDO1TDO2ARCDK5CDK5R1
SCHEMBL27587648 0.71 AR (0.76) IDO1TDO2ARCDK5CDK5R1
SCHEMBL15162688 0.71 AR (0.49) IDO1TDO2ARCDK5CDK5R1
SCHEMBL27962668 0.69 BCHE (0.60) IDO1TDO2CDK5CDK5R1CCNB2
SCHEMBL4821347 0.69 CCNB2 (0.68) TDO2CDK5CDK5R1CCNB2CDK1
SCHEMBL20600867 0.69 BCHE (0.56) IDO1TDO2CDK5CDK5R1CCNB2

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-102372693-B Carbazole compound and application thereof UNIV TSINGHUA 2015-03-11 — — CN disclosed
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