SCHEMBL9703566

SCHEMBL9703566

Cc1cccc2c1C(c1ccccc1)=NN(c1ccc(Cl)c(Cl)c1)C(=O)N2C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.38
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RPA1 P27694 3/20 0.38
RAD51 Q06609 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
AR P10275 1/20 0.35
MAP3K14 Q99558 1/20 0.34
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33

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
SCHEMBL9705387 0.88 CCKBR (0.38) CCKBRGAAL3MBTL1KDM4EALDH1A1
SCHEMBL9703681 0.83 CCKBR (0.38) CCKBRKDM4EALDH1A1GABRPGABRD
SCHEMBL9703395 0.66 PGR (0.53) CCKBRTSHRALDH1A1CYP1A2CYP2D6
SCHEMBL5468412 0.63 MAPT (0.59) GAAL3MBTL1RPA1RAD51TSHR
SCHEMBL9702828 0.63 CCKBR (0.48) CCKBRGABRA1GABRG2GABRB3GABRA5
SCHEMBL5455243 0.60 MEN1 (0.78) GAAL3MBTL1KDM4EALDH1A1KMT2A
SCHEMBL5455242 0.60 MEN1 (0.78) GAAL3MBTL1KDM4EALDH1A1KMT2A
SCHEMBL4662916 0.58 KDM4E (0.70) GAAL3MBTL1TSHRKDM4EALDH1A1
SCHEMBL4653997 0.58 RAD51 (0.57) GAAL3MBTL1RPA1RAD51TSHR
SCHEMBL8555730 0.57 MAOB (0.39) TSHRKDM4EALDH1A1CYP2C9

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
US-5091381-A Detection of peripheral benzodiazepine receptor activity in cell or tissue by labelled compounds using radioisotopes or cytoxic agents BIOMEASURE, INC. (US) 1992-02-25 US disclosed