SCHEMBL22017403

SCHEMBL22017403

COc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIT P10721 3/20 0.63
TMPRSS2 O15393 1/20 0.63
ALDH1A1 P00352 1/20 0.62
FGFR1 P11362 2/20 0.60
BRAF P15056 7/20 0.60
KDR P35968 1/20 0.58
ABL1 P00519 3/20 0.58
EGFR P00533 6/20 0.57

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
SCHEMBL22018088 0.92 TMPRSS2 (0.61) KITTMPRSS2FGFR1BRAFKDR
SCHEMBL22017590 0.90 TMPRSS2 (0.68) KITTMPRSS2BRAFABL1EGFR
SCHEMBL22017401 0.90 TMPRSS2 (0.68) KITTMPRSS2BRAFABL1EGFR
SCHEMBL22017239 0.90 TMPRSS2 (0.70) KITTMPRSS2BRAFABL1EGFR
SCHEMBL22018089 0.90 TMPRSS2 (0.68) KITTMPRSS2BRAFABL1EGFR
SCHEMBL22017757 0.89 TMPRSS2 (0.67) KITTMPRSS2BRAFABL1EGFR
SCHEMBL22017232 0.89 KIT (0.66) KITTMPRSS2BRAFABL1EGFR
SCHEMBL22017407 0.88 TMPRSS2 (0.66) KITTMPRSS2BRAFABL1EGFR
SCHEMBL19500739 0.86 KIT (0.78) KITFGFR1BRAFABL1EGFR
SCHEMBL15847156 0.85 KIT (0.71) KITBRAFABL1EGFR

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-2020098710-A1 SUBSTITUTED BIS-ARYL AMIDE COMPOUND AND PREPARATION METHOD AND APPLICATION THEREFOR 中国医学科学院医药生物技术研究所 2020-05-22 WO disclosed