SCHEMBL22017237

SCHEMBL22017237

CN1CCN(Cc2ccc(NC(=O)c3ccc(OCCCCl)c([N+](=O)[O-])c3)cn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
POLB P06746 4/20 0.56
LMNA P02545 2/20 0.56
ALDH1A1 P00352 4/20 0.52
MAPK7 Q13164 1/20 0.47
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
EGFR P00533 2/20 0.46
TMPRSS2 O15393 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL22017240 0.86 MAPK7 (0.49) MAPK7EGFRL3MBTL1
SCHEMBL22017395 0.83 EGFR (0.49) MAPTMAPK7EGFR
SCHEMBL22017401 0.82 TMPRSS2 (0.68) MAPTPOLBLMNAEGFRTMPRSS2
SCHEMBL22017757 0.80 TMPRSS2 (0.67) MAPTPOLBLMNAEGFRTMPRSS2
SCHEMBL22017407 0.80 TMPRSS2 (0.66) MAPTPOLBLMNAEGFRTMPRSS2
SCHEMBL22017239 0.79 TMPRSS2 (0.70) MAPTPOLBLMNAEGFRTMPRSS2
SCHEMBL22018089 0.76 TMPRSS2 (0.68) MAPTPOLBLMNAEGFRTMPRSS2
SCHEMBL22017590 0.75 TMPRSS2 (0.68) MAPTPOLBLMNAEGFRTMPRSS2
SCHEMBL22017242 0.73 TMPRSS2 (0.65) MAPTLMNAALDH1A1GAAMEN1
SCHEMBL773064 0.71 MAPK7 (0.56) MAPK7

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