SCHEMBL4972774

SCHEMBL4972774

NC1CCCc2c1n(-c1ccc(F)cc1)c1ccc(Br)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HTR6 P50406 2/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR7 P34969 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ TBXA2R P21731 2/20 0.34
▸ DHODH Q02127 1/20 0.33
▸ MAPT P10636 3/20 0.33
▸ PPARG P37231 1/20 0.33
▸ NCOA2 Q15596 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32

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
SCHEMBL4971672 0.88 HTR6 (0.43) MEN1KMT2AHTR6HTR1AHTR2A
SCHEMBL4969052 0.88 HTR6 (0.49) MEN1KMT2AHTR6HTR1AHTR2A
SCHEMBL4968907 0.87 HTR6 (0.41) MEN1KMT2AHTR6HTR1AHTR2A
SCHEMBL4972329 0.85 KDM4E (0.42) TBXA2RMAPTALDH1A1LMNA
SCHEMBL4970766 0.85 HTR6 (0.42) MEN1KMT2AHTR6HTR1AHTR2A
SCHEMBL4971454 0.83 HTR6 (0.41) MEN1KMT2AHTR6HTR1AHTR2A
SCHEMBL4967820 0.83 HTR6 (0.43) MEN1KMT2AHTR6HTR1AHTR2A
SCHEMBL4968999 0.79 AHR (0.41) MEN1KMT2AHTR6HTR1AHTR2A
SCHEMBL4971034 0.78 KMT2A (0.40) MEN1KMT2AHTR6HTR1AHTR2A
SCHEMBL15265192 0.78 MEN1 (0.50) 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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