SCHEMBL22017757

SCHEMBL22017757

CN1CCN(Cc2ccc(NC(=O)c3ccc(OCCCCCl)c([N+](=O)[O-])c3)cc2C(F)(F)F)CC1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 1/20 0.67
KIT P10721 2/20 0.58
BRAF P15056 9/20 0.55
EGFR P00533 8/20 0.55
RET P07949 3/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
ABL1 P00519 2/20 0.52

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
SCHEMBL22017407 0.99 TMPRSS2 (0.66) TMPRSS2KITBRAFEGFRRET
SCHEMBL22017401 0.98 TMPRSS2 (0.68) TMPRSS2KITBRAFEGFRRET
SCHEMBL22017239 0.96 TMPRSS2 (0.70) TMPRSS2KITBRAFEGFRRET
SCHEMBL22018089 0.93 TMPRSS2 (0.68) TMPRSS2KITBRAFEGFRRET
SCHEMBL22017590 0.92 TMPRSS2 (0.68) TMPRSS2KITBRAFEGFRRET
SCHEMBL22017403 0.89 KIT (0.63) TMPRSS2KITBRAFEGFRABL1
SCHEMBL22017242 0.88 TMPRSS2 (0.65) TMPRSS2KITBRAFRETLMNA
SCHEMBL22018088 0.87 TMPRSS2 (0.61) TMPRSS2KITBRAFEGFRABL1
SCHEMBL22018091 0.87 KIT (0.61) KITBRAFEGFRRETABL1
SCHEMBL22017232 0.84 KIT (0.66) TMPRSS2KITBRAFEGFRABL1

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