SCHEMBL46596

SCHEMBL46596

Cc1c(C(=O)Nc2ccccc2)c(=O)n(C)c2cccc(Cl)c12

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.69
▸ NPC1 O15118 6/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ MEN1 O00255 7/20 0.51
▸ KMT2A Q03164 7/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ MAPT P10636 2/20 0.50
▸ RECQL P46063 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ SRC P12931 4/20 0.49
▸ FGFR1 P11362 1/20 0.49
▸ PTGS2 P35354 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ AHR P35869 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ LMNA P02545 1/20 0.44

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
SCHEMBL39159 0.89 EGFR (0.70) EGFRNPC1ALDH1A1MEN1KMT2A
SCHEMBL29972560 0.89 EGFR (0.70) EGFRNPC1ALDH1A1MEN1KMT2A
SCHEMBL30227615 0.88 EGFR (0.69) EGFRNPC1ALDH1A1MEN1KMT2A
SCHEMBL25225907 0.88 EGFR (0.69) EGFRNPC1ALDH1A1MEN1KMT2A
Lithium SCHEMBL30227618 0.88 EGFR (0.69) EGFRNPC1ALDH1A1MEN1KMT2A
SCHEMBL25255502 0.88 EGFR (0.69) EGFRNPC1ALDH1A1MEN1KMT2A
SCHEMBL25255808 0.88 EGFR (0.69) EGFRNPC1ALDH1A1MEN1KMT2A
Potassium SCHEMBL30173582 0.88 EGFR (0.69) EGFRNPC1ALDH1A1MEN1KMT2A
SCHEMBL15154102 0.84 EGFR (0.64) EGFRNPC1ALDH1A1MEN1KMT2A
SCHEMBL15154326 0.83 EGFR (0.59) EGFRNPC1ALDH1A1MEN1KMT2A

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-2012006544-A1 5-CHLORO-4-HYDROXY-1-METHYL-2-OXO-N-PHENYL-1,2-DIHYDROQUINOLINE-3-CARBOXAMIDE, SALTS AND USES THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2012-01-12 — — WO disclosed
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