SCHEMBL4972329

SCHEMBL4972329

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

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TBXA2R P21731 2/20 0.42
▸ KCNH2 Q12809 8/20 0.41

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 0.92 MAPT (0.46) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL4966957 0.88 KDM4E (0.45) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL4968337 0.88 MAPT (0.44) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL4972774 0.85 MEN1 (0.41) ALDH1A1LMNAMAPTTBXA2R
SCHEMBL4970200 0.85 MAPT (0.43) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL4971672 0.83 HTR6 (0.43) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL4970261 0.80 KDM4E (0.42) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL4969062 0.78 KDM4E (0.43) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL13666164 0.77 KCNH2 (0.41) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL4968907 0.75 HTR6 (0.41) ALDH1A1LMNAMAPTTBXA2R

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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