SCHEMBL5887404

SCHEMBL5887404

Cc1ccc(C2=C(Cl)C(Cl)=C(c3cccc(C)c3)[CH]C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
FYN P06241 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
HPGD P15428 2/20 0.35
PGR P06401 1/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP11 Q9NR21 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
MAOB P27338 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
SCHEMBL5887672 0.90 ESR2 (0.40) PGRPARP10PARP11ESR2
SCHEMBL5887587 0.87 ESR1 (0.33) L3MBTL1MEN1KMT2AHPGDKDM4E
SCHEMBL4802233 0.85 ESR1 (0.40) HPGDKDM4EALDH1A1MAPTESR1
SCHEMBL5887570 0.85 ALKBH3 (0.44) L3MBTL1CLK4HPGDKDM4EALDH1A1
SCHEMBL6047653 0.81 HSD11B1 (0.37) MAPT
SCHEMBL6047589 0.75 PTGS1 (0.35) L3MBTL1MEN1KMT2APGR
SCHEMBL6047649 0.70 L3MBTL1 (0.38) L3MBTL1MEN1KMT2AHPGDALDH1A1
SCHEMBL23003863 0.68 ACHE (0.55) L3MBTL1MEN1KMT2AFYNCLK4
SCHEMBL5545442 0.68 ACHE (0.55) L3MBTL1MEN1KMT2AFYNCLK4
SCHEMBL29929976 0.68 ACHE (0.55) L3MBTL1MEN1KMT2AFYNCLK4

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-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 US claimed