SCHEMBL3855951

SCHEMBL3855951

Cc1ccc(F)c(NC(=O)c2ccccc2C(=O)c2ccc3n[c][nH]c3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.48
▸ NR1H4 Q96RI1 2/20 0.43
▸ PPARG P37231 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ KDR P35968 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ RAF1 P04049 2/20 0.39
▸ BRAF P15056 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ TP53 P04637 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ MAPT P10636 1/20 0.38
▸ CYP2C9 P11712 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
SCHEMBL3850936 0.88 GPR35 (0.43) NPSR1NR1H4PPARGRAB9AKMT2A
SCHEMBL27774235 0.86 PPARG (0.39) NR1H4PPARGKMT2ARAF1BRAF
SCHEMBL4470605 0.84 NPC1 (0.40) NPSR1NR1H4PPARGTDP1RAB9A
SCHEMBL4464511 0.84 MAPT (0.44) NPSR1NR1H4PPARGTDP1RAB9A
SCHEMBL3848659 0.83 MEN1 (0.52) NPSR1TDP1RAB9ALMNAKMT2A
SCHEMBL3848804 0.82 NPSR1 (0.48) NPSR1NR1H4PPARGTDP1RAB9A
SCHEMBL2300130 0.81 RAF1 (0.57) NPSR1RAB9ALMNAKMT2AKDR
SCHEMBL3848177 0.80 MAPT (0.44) NPSR1NR1H4PPARGTDP1RAB9A
SCHEMBL4473204 0.80 NPC1 (0.41) NPSR1NR1H4PPARGRAB9ALMNA
SCHEMBL3857514 0.79 RAF1 (0.38) NPSR1NR1H4PPARGRAB9ALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2101759-A1 METHODS OF USING MEK INHIBITORS Exelixis, Inc. (US) 2009-09-23 — — EP claimed
WO-2008076415-A1 METHODS OF USING MEK INHIBITORS EXELIXIS, INC. (US) 2008-06-26 — — WO claimed
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