SCHEMBL16770543

SCHEMBL16770543

CC[C@@H](C)c1ccc(Cl)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.59
LMNA P02545 1/20 0.59
HTT P42858 1/20 0.59
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
IDO1 P14902 2/20 0.39
TDO2 P48775 1/20 0.39
RORC P51449 1/20 0.38

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
SCHEMBL2632875 1.00 TP53 (0.59) TP53LMNAHTTTSHRMEN1
SCHEMBL17069212 1.00 TP53 (0.59) TP53LMNAHTTTSHRMEN1
SCHEMBL20365885 0.84 TP53 (0.55) TP53LMNAHTTMEN1KMT2A
SCHEMBL19539103 0.83 HTT (0.44) TP53LMNAHTTTSHRMEN1
SCHEMBL681524 0.83 TP53 (0.59) TP53LMNAHTTTSHRMEN1
SCHEMBL18928638 0.82 HTT (0.42) TP53LMNAHTTTSHRMEN1
SCHEMBL13180776 0.82 LMNA (0.39) TP53LMNAHTTTSHRMEN1
SCHEMBL28926872 0.82 TP53 (0.62) TP53LMNAHTTTSHRMEN1
SCHEMBL8934270 0.82 TP53 (0.57) TP53LMNAHTTTSHRMEN1
SCHEMBL9593590 0.81 LMNA (0.52) TP53LMNAHTT

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-2015078374-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2015-06-04 WO disclosed