SCHEMBL9059987

SCHEMBL9059987

Cc1ccc(F)cc1CC(=O)c1ccnc(N)c1C(=O)Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 1/20 0.35
NR3C2 P08235 1/20 0.35
SHBG P04278 1/20 0.33
CHRNA7 P36544 1/20 0.32
ANO1 Q5XXA6 3/20 0.32
PDPK1 O15530 1/20 0.32
LMNA P02545 2/20 0.32
EIF2AK3 Q9NZJ5 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ESR1 P03372 1/20 0.31

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
SCHEMBL7551790 0.89 SGMS2 (0.36) SGMS2NR3C2SHBGPDPK1LMNA
SCHEMBL7546276 0.83 MEN1 (0.45) NR3C2SHBGANO1KDM4EMAPT
SCHEMBL7550244 0.81 MAPK14 (0.35) NR3C2CHRNA7LMNATP53KMT2A
SCHEMBL7548395 0.77 ALOX5 (0.38) L3MBTL1
SCHEMBL7600813 0.76
SCHEMBL7546252 0.75 TDP1 (0.32) TP53TDP1L3MBTL1
SCHEMBL8799386 0.74 SHBG (0.44) SHBGANO1KDM4EMAPK1MEN1
SCHEMBL7546196 0.74 KDM4E (0.38) KDM4ETP53KDM4C
SCHEMBL7544426 0.73 HPGD (0.42) LMNAKDM4ETP53MAPTKDM4C
SCHEMBL7547894 0.72 MAPT (0.46) NR3C2SHBGANO1KDM4EMAPT

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-1996022295-A9 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS 1996-11-14 WO disclosed