SCHEMBL17643350

SCHEMBL17643350

CCC(=O)N1CCN(C(=O)c2cc(-c3ccccc3Cl)c(Cl)cc2O)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BLM P54132 1/20 0.49
▸ HSP90AA1 P07900 10/20 0.47
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ HSP90AB1 P08238 1/20 0.41
▸ EPHX2 P34913 1/20 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
SCHEMBL17643349 0.85 ALDH1A1 (0.47) BLMALOX15TSHRKMT2AMEN1
SCHEMBL16101856 0.82 HSP90AA1 (0.48) HSP90AA1LMNATP53ALOX15TSHR
SCHEMBL16100490 0.79 MAPT (0.42) HSP90AA1LMNATP53ALOX15TSHR
SCHEMBL16100491 0.79 MAPT (0.42) HSP90AA1LMNATP53ALOX15TSHR
SCHEMBL16117911 0.77 HSP90AA1 (0.51) HSP90AA1RAB9A
SCHEMBL16099343 0.71 ALDH1A1 (0.50) ALOX15TSHRKMT2AMEN1ALDH1A1
SCHEMBL26764213 0.71 ALDH1A1 (0.62) HSP90AA1LMNATP53ALOX15TSHR
SCHEMBL20259855 0.71 KRAS (0.50) BLMTSHRALDH1A1EPHX2
SCHEMBL16117894 0.71 LMNA (0.51) HSP90AA1LMNATP53ALOX15TSHR
SCHEMBL16117904 0.70 HSP90AA1 (0.51) HSP90AA1LMNATP53ALOX15TSHR

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
WO-2016049565-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF RAS ARAXES PHARMA LLC (US) 2016-03-31 — — WO disclosed
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