SCHEMBL22017753

SCHEMBL22017753

CN(C)C1CN(Cc2ccc(NC(=O)c3ccc(OCCCCl)c([N+](=O)[O-])c3)cc2C(F)(F)F)C1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 1/20 0.87
ABL1 P00519 8/20 0.47
BCR P11274 5/20 0.47
CSK P41240 2/20 0.46
MAPK14 Q16539 2/20 0.46
MAPT P10636 5/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.44
LYN P07948 3/20 0.44
BRAF P15056 2/20 0.44
RIPK2 O43353 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
RET P07949 1/20 0.44
PDGFRB P09619 1/20 0.44
ARAF P10398 1/20 0.44
NQO2 P16083 1/20 0.44
EPHA2 P29317 1/20 0.44
EPHB2 P29323 1/20 0.44
ABL2 P42684 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
SCHEMBL22017408 0.95 TMPRSS2 (0.79) TMPRSS2ABL1BCRCSKMAPK14
SCHEMBL22017401 0.88 TMPRSS2 (0.68) TMPRSS2ABL1MAPTPOLBLMNA
SCHEMBL22017239 0.86 TMPRSS2 (0.70) TMPRSS2ABL1MAPTPOLBLMNA
SCHEMBL22017242 0.86 TMPRSS2 (0.65) TMPRSS2ABL1BCRMAPTLMNA
SCHEMBL22017757 0.85 TMPRSS2 (0.67) TMPRSS2ABL1MAPTPOLBLMNA
SCHEMBL22017407 0.85 TMPRSS2 (0.66) TMPRSS2ABL1MAPTPOLBLMNA
SCHEMBL22017588 0.85 TMPRSS2 (0.64) TMPRSS2ABL1BCRCSKMAPK14
SCHEMBL22018089 0.81 TMPRSS2 (0.68) TMPRSS2ABL1MAPTPOLBLMNA
SCHEMBL22017586 0.81 TMPRSS2 (0.57) TMPRSS2MAPTPOLBLMNAMEN1
SCHEMBL22017590 0.81 TMPRSS2 (0.68) TMPRSS2ABL1MAPTPOLBLMNA

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