SCHEMBL4970766

SCHEMBL4970766

COc1ccc(-n2c3c(c4cc(Br)ccc42)CCCC3N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 6/20 0.42
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ HTR1A P08908 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ HTT P42858 5/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ MAPT P10636 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMPD1 P17405 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HIF1A Q16665 1/20 0.34

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
SCHEMBL4971034 0.89 KMT2A (0.40) HTR6KMT2AMEN1HTR1AHTR2A
SCHEMBL4970200 0.86 MAPT (0.43) HTR6ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL4972774 0.85 MEN1 (0.41) HTR6KMT2AMEN1ALDH1A1HTR1A
SCHEMBL4971672 0.85 HTR6 (0.43) HTR6KMT2AMEN1ALDH1A1HTR1A
SCHEMBL4969052 0.84 HTR6 (0.49) HTR6KMT2AMEN1ALDH1A1HTR1A
SCHEMBL4972726 0.81 HTR6 (0.41) HTR6KMT2AMEN1ALDH1A1HTR1A
SCHEMBL4971454 0.81 HTR6 (0.41) HTR6KMT2AMEN1ALDH1A1HTR1A
SCHEMBL15265192 0.78 MEN1 (0.50) HTR6KMT2AMEN1ALDH1A1HTR1A
SCHEMBL4968907 0.77 HTR6 (0.41) HTR6KMT2AMEN1ALDH1A1HTR1A
SCHEMBL4972772 0.76 HTR6 (0.39) HTR6KMT2AALDH1A1MAPTKDM4E

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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