SCHEMBL4653367

SCHEMBL4653367

CC1=Cc2c(Br)cc(-c3cccs3)cc2C1C(C)C1C(C)=Cc2c(Br)cc(-c3cccs3)cc21

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.32
HDAC3 O15379 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
ALOX5 P09917 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PRMT6 Q96LA8 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
SCHEMBL1453866 0.83 KCNH2 (0.34) KCNH2HDAC3HDAC1HDAC2ALOX5
SCHEMBL1453960 0.82 PRMT6 (0.33) KCNH2MEN1USP2ALDH1A1LMNA
SCHEMBL1452263 0.82 PRMT6 (0.33) KCNH2MEN1USP2ALDH1A1LMNA
SCHEMBL4652045 0.81 CRHBP (0.39)
SCHEMBL1452759 0.81 SMN1; SMN2 (0.33) KCNH2ALOX5PTGS1PTGS2MEN1
SCHEMBL4651917 0.78 HDAC2 (0.40) KCNH2HDAC3HDAC1HDAC2ALOX5
SCHEMBL4652203 0.78 LMNA (0.31) LMNAMAPT
SCHEMBL4651165 0.74
SCHEMBL4652002 0.73 PPARG (0.33) MAPTSMN1; SMN2
SCHEMBL4650927 0.71

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971621-A1 PREPARATION OF SUBSTITUTED BRIDGED INDENYL AND RELATED LIGANDS ExxonMobil Chemical Patents Inc. (US) 2008-09-24 EP disclosed
WO-2007070045-A1 PREPARATION OF SUBSTITUTED BRIDGED INDENYL AND RELATED LIGANDS EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2007-06-21 WO disclosed