SCHEMBL20353196

SCHEMBL20353196

Cc1cc(C)c(NC2CCCCC2)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 2/20 0.51
▸ TAS1R1 Q7RTX1 2/20 0.51
▸ TAS1R2 Q8TE23 2/20 0.51
▸ RAPGEF4 Q8WZA2 4/20 0.50
▸ KMT2A Q03164 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ TSHR P16473 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ GAA P10253 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ NCOA3 Q9Y6Q9 1/20 0.40
▸ EPHX2 P34913 1/20 0.40

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
SCHEMBL20353195 0.82 RAPGEF4 (0.48) TAS1R3TAS1R1TAS1R2RAPGEF4EPHX2
SCHEMBL25039416 0.80 RAPGEF4 (0.46) RAPGEF4
SCHEMBL2094375 0.80 RAPGEF4 (0.46) TAS1R3TAS1R1TAS1R2RAPGEF4KMT2A
SCHEMBL1842397 0.80 RAPGEF4 (0.46) RAPGEF4KMT2AALDH1A1MEN1
SCHEMBL22429117 0.79 ALOX12 (0.57) ALDH1A1KDM4EL3MBTL1GAALMNA
SCHEMBL3976452 0.78 EHMT2 (0.45) RAPGEF4
SCHEMBL19986585 0.78 LRRK2 (0.46) KMT2AALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL8704325 0.77 TP53 (0.49) KMT2AALDH1A1KDM4EL3MBTL1MEN1
Hydrochloric Acid SCHEMBL8704174 0.76 TP53 (0.48) KMT2AALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL25039457 0.76 RAPGEF4 (0.42) RAPGEF4KMT2ALMNA

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-2018125569-A1 LUBRICATING COMPOSITION INCLUDING N-ALKYLATED DIANILINE THE LUBRIZOL CORPORATION (US) 2018-07-05 — — WO disclosed
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