SCHEMBL4972027

SCHEMBL4972027

NC1CCCc2c1n(-c1ccc(Cl)cc1)c1ccc(Cl)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ TBXA2R P21731 4/20 0.38
▸ HSD17B10 Q99714 4/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ USP2 O75604 2/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ PTGDR Q13258 2/20 0.36
▸ SIRT1 Q96EB6 4/20 0.36
▸ SIRT2 Q8IXJ6 3/20 0.36
▸ SIRT3 Q9NTG7 2/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL4972329 0.92 KDM4E (0.42) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL4966957 0.92 KDM4E (0.45) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL4968337 0.92 MAPT (0.44) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL4971672 0.90 HTR6 (0.43) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL4970200 0.89 MAPT (0.43) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL4970261 0.84 KDM4E (0.42) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL4969062 0.82 KDM4E (0.43) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL4970757 0.79 KDM4E (0.41) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL4968166 0.78 KDM4E (0.40) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL4971454 0.78 HTR6 (0.41) MAPTKDM4EALDH1A1LMNAGAA

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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