SCHEMBL6054898

SCHEMBL6054898

CCCc1ccc(NC(=O)c2cccnc2)cc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.59
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ TSHR P16473 1/20 0.58
▸ BRAF P15056 2/20 0.57
▸ EGFR P00533 1/20 0.57
▸ RAB9A P51151 7/20 0.55
▸ NPC1 O15118 5/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ CSF1R P07333 1/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ MAPT P10636 1/20 0.53
▸ GFER P55789 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.51
▸ KCNK3 O14649 1/20 0.51
▸ TP53 P04637 1/20 0.51

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
SCHEMBL7544775 0.92 RAB9A (0.62) TRPA1MEN1KMT2ATSHRBRAF
SCHEMBL6187363 0.86 MAPT (0.62) TRPA1MEN1KMT2ABRAFRAB9A
SCHEMBL5694537 0.83 MEN1 (0.68) TRPA1MEN1KMT2ATSHRBRAF
SCHEMBL30616136 0.81 BRAF (0.84) BRAFEGFRCSF1R
SCHEMBL5694529 0.80 MEN1 (0.72) MEN1KMT2ATSHRBRAFRAB9A
SCHEMBL6054991 0.78 MEN1 (0.58) TRPA1MEN1KMT2ATSHRBRAF
SCHEMBL5694495 0.77 RAB9A (0.80) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL26215023 0.76 EGFR (0.64) MEN1KMT2ABRAFEGFRCSF1R
SCHEMBL3119007 0.74 KDR (0.74) BRAFEGFRCSF1R
SCHEMBL5665029 0.74 EPHX2 (0.76) TRPA1MEN1KMT2ATSHRBRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1259487-A1 2-AMINO-NICOTINAMIDE DERIVATIVES AND THEIR USE AS VEGF-RECEPTOR TYROSINE KINASE INHIBITORS Novartis AG (CH) 2002-11-27 — — EP claimed
WO-2001055114-A1 2-AMINO-NICOTINAMIDE DERIVATIVES AND THEIR USE AS VEGF-RECEPTOR TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2001-08-02 — — WO claimed
EP-1682181-A2 COMBINATION OF A VEGF RECEPTOR INHIBITOR WITH A CHEMOTHERAPEUTIC AGENT Novartis AG (CH) 2006-07-26 — — EP disclosed
WO-2005027972-A2 COMBINATION OF A VEGF RECEPTOR INHIBITOR WITH A CHEMOTHERAPEUTIC AGENT NOVARTIS AG (CH) 2005-03-31 — — WO disclosed
EP-1259487-A1 2-AMINO-NICOTINAMIDE DERIVATIVES AND THEIR USE AS VEGF-RECEPTOR TYROSINE KINASE INHIBITORS Novartis AG (CH) 2002-11-27 — — EP disclosed
WO-2001055114-A1 2-AMINO-NICOTINAMIDE DERIVATIVES AND THEIR USE AS VEGF-RECEPTOR TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2001-08-02 — — WO disclosed
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