SCHEMBL7544775

SCHEMBL7544775

CCc1ccc(NC(=O)c2cccnc2)cc1C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.62
▸ NPC1 O15118 5/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ TSHR P16473 1/20 0.61
▸ BRAF P15056 2/20 0.60
▸ EGFR P00533 1/20 0.60
▸ TRPA1 O75762 1/20 0.59
▸ CSF1R P07333 1/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ GFER P55789 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.54
▸ KCNK3 O14649 1/20 0.54
▸ TP53 P04637 1/20 0.54

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
SCHEMBL6054898 0.92 TRPA1 (0.59) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL5694537 0.86 MEN1 (0.68) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL30616136 0.83 BRAF (0.84) BRAFEGFRCSF1R
SCHEMBL5694529 0.83 MEN1 (0.72) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6054991 0.81 MEN1 (0.58) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL26215023 0.79 EGFR (0.64) MEN1KMT2ABRAFEGFRCSF1R
SCHEMBL7339505 0.78 RAB9A (0.64) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL5665029 0.77 EPHX2 (0.76) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL8252721 0.77 RAB9A (1.00) RAB9ANPC1SMN1; SMN2KMT2ANPSR1
SCHEMBL6187363 0.77 MAPT (0.62) RAB9ANPC1MEN1KMT2ABRAF

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-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
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