SCHEMBL4970200

SCHEMBL4970200

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ USP14 P54578 1/20 0.38
▸ AKR1C3 P42330 2/20 0.38
▸ AKR1C2 P52895 2/20 0.38
▸ AKR1C4 P17516 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.38
▸ HTR6 P50406 2/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GLA P06280 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
SCHEMBL4972027 0.89 MAPT (0.46) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL4966957 0.87 KDM4E (0.45) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL4970766 0.86 HTR6 (0.42) MAPTKDM4EALDH1A1LMNAHTR6
SCHEMBL4972329 0.85 KDM4E (0.42) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL4968337 0.84 MAPT (0.44) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL4970757 0.81 KDM4E (0.41) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL4971672 0.80 HTR6 (0.43) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL13665494 0.80 USP14 (0.38) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL4969062 0.77 KDM4E (0.43) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL13665753 0.77 SLC6A4 (0.40) 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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