SCHEMBL9754829

SCHEMBL9754829

COC(=O)Oc1cc(CBr)ccc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PTPN1 P18031 2/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
EGFR P00533 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
FOLH1 Q04609 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL17720780 0.86 KDM4E (0.44) KDM4EHPGDHSD17B10PTPN1EGFR
SCHEMBL27489237 0.86 BACE1 (0.51) KDM4EHPGDHSD17B10CYP4F2CYP4A11
SCHEMBL6950322 0.83 KDM4E (0.46) KDM4EHPGDHSD17B10ALDH1A1LMNA
SCHEMBL17720767 0.81 EGFR (0.55) KDM4EHPGDHSD17B10EGFRSMN1; SMN2
SCHEMBL7229895 0.81 CYP1A1 (0.46) KDM4EHPGDCYP4F2CYP4A11SMN1; SMN2
SCHEMBL534889 0.77 KDM4E (0.50) KDM4EHPGDHSD17B10CYP4F2CYP4A11
SCHEMBL1834873 0.77 KDM4E (0.61) KDM4EHPGDHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL8904461 0.75 LMNA (0.43) KDM4EHPGDCYP4F2CYP4A11ALDH1A1
SCHEMBL27368090 0.75 BACE1 (0.49) KDM4EHPGDHSD17B10PTPN1CYP4F2
SCHEMBL17720805 0.75 PDE4D (0.47) KDM4EHPGDHSD17B10PTPN1LMNA

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-1991013063-A1 NEW BENZIMIDAZOLE DERIVATIVES, METHOD FOR PREPARING THEM AND THEIR PHARMACEUTICAL USE SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1991-09-05 WO disclosed