SCHEMBL4969062

SCHEMBL4969062

Cc1cc(C)nc(-n2c3c(c4cc(Cl)ccc42)CCCC3N)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.43
▸ MAPT P10636 4/20 0.43
▸ LMNA P02545 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ HSD17B10 Q99714 6/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ USP2 O75604 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ACHE P22303 5/20 0.34
▸ BCHE P06276 4/20 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
SCHEMBL4968166 0.89 KDM4E (0.40) KDM4EMAPTLMNAALDH1A1GAA
SCHEMBL4970757 0.86 KDM4E (0.41) KDM4EMAPTLMNAALDH1A1GAA
SCHEMBL4970261 0.84 KDM4E (0.42) KDM4EMAPTLMNAALDH1A1GAA
SCHEMBL4966957 0.82 KDM4E (0.45) KDM4EMAPTLMNAALDH1A1GAA
SCHEMBL4972027 0.82 MAPT (0.46) KDM4EMAPTLMNAALDH1A1GAA
SCHEMBL4968337 0.80 MAPT (0.44) KDM4EMAPTLMNAALDH1A1GAA
SCHEMBL4972329 0.78 KDM4E (0.42) KDM4EMAPTLMNAALDH1A1GAA
SCHEMBL4970200 0.77 MAPT (0.43) KDM4EMAPTLMNAALDH1A1GAA
SCHEMBL4971672 0.73 HTR6 (0.43) KDM4EMAPTLMNAALDH1A1GAA
SCHEMBL4972772 0.70 HTR6 (0.39) KDM4EMAPTALDH1A1GAAHSD17B10

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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