SCHEMBL10016136

SCHEMBL10016136

Cc1cc(Cl)cc(C)c1Nc1cccc2ccc(C(Cc3ccccc3)Nc3c(C(C)C)cccc3C(C)C)nc12

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 3/20 0.34
▸ SOAT2 O75908 2/20 0.32
▸ SOAT1 P35610 2/20 0.32
▸ TP53 P04637 2/20 0.32
▸ OPRM1 P35372 1/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ CTDSP1 Q9GZU7 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 2/20 0.31
▸ THRB P10828 1/20 0.31
▸ SCN4A P35499 1/20 0.30
▸ RAPGEF4 Q8WZA2 1/20 0.30
▸ DRD4 P21917 1/20 0.30
▸ DRD3 P35462 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL10016135 0.75 POLB (0.38) CRHR1TP53POLBTHRBRAPGEF4
SCHEMBL340223 0.74 MDM2 (0.36) TP53LMNA
SCHEMBL21248111 0.68 SLC40A1 (0.45) TP53LMNAPOLB
SCHEMBL10049500 0.67 GLA (0.30) SOAT2SOAT1
SCHEMBL1642899 0.64 GLO1 (0.47) TP53THRBL3MBTL1
SCHEMBL21778151 0.63 GABRA1 (0.38) TP53LMNA
SCHEMBL10016134 0.62 RAB9A (0.47) TP53LMNAPOLBTHRB
SCHEMBL23499841 0.60 ALDH1A1 (0.39) TP53LMNAPOLBL3MBTL1
SCHEMBL14632564 0.60 PLAU (0.37) TP53LMNA
SCHEMBL1005996 0.60 ALDH1A1 (0.38) LMNAPOLB

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
US-20120016092-A1 Catalysts based on quinoline precursors BASELL POLYOLEFINE GMBH (DE) 2012-01-19 — — US disclosed
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