SCHEMBL4968898

SCHEMBL4968898

CCCc1cnc(-n2c3c(c4cc(Br)ccc42)CCCC3N)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HTR6 P50406 2/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ MAPT P10636 4/20 0.34
▸ PPARG P37231 1/20 0.34
▸ NCOA2 Q15596 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ HSD17B10 Q99714 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ GAA P10253 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ NFKB1 P19838 1/20 0.30

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
SCHEMBL4970199 0.82 CYP11B1 (0.37) MEN1KMT2AHTR6HTR1AHTR2A
SCHEMBL4971283 0.80 HTR6 (0.39) MEN1KMT2AHTR6HTR1AHTR2A
SCHEMBL15265192 0.75 MEN1 (0.50) MEN1KMT2AHTR6HTR1AHTR2A
SCHEMBL4969052 0.75 HTR6 (0.49) MEN1KMT2AHTR6HTR1AHTR2A
SCHEMBL4972774 0.73 MEN1 (0.41) MEN1KMT2AHTR6HTR1AHTR2A
SCHEMBL4971672 0.73 HTR6 (0.43) MEN1KMT2AHTR6HTR1AHTR2A
SCHEMBL4970766 0.72 HTR6 (0.42) MEN1KMT2AHTR6HTR1AHTR2A
SCHEMBL4968252 0.72 CYP11B1 (0.38) MEN1KMT2AHTR6HTR1AHTR2A
SCHEMBL4971454 0.71 HTR6 (0.41) MEN1KMT2AHTR6HTR1AHTR2A
SCHEMBL4967820 0.71 HTR6 (0.43) MEN1KMT2AHTR6HTR1AHTR2A

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
EP-1654228-B1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2008-10-22 — — EP claimed
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