SCHEMBL4681950

SCHEMBL4681950

COc1c(C)ncc(Br)c1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 3/20 0.41
THRB P10828 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
BLM P54132 1/20 0.41
MAOB P27338 1/20 0.41
THRA P10827 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
STAT3 P40763 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDGFRB P09619 1/20 0.39

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
SCHEMBL82592 0.82 THRB (0.43) L3MBTL1MEN1KMT2AGAATHRB
SCHEMBL4687477 0.80 THRB (0.40) L3MBTL1MEN1KMT2AGAATHRB
SCHEMBL30468864 0.80 THRA (0.46) MEN1KMT2ATHRBTHRALMNA
SCHEMBL4685977 0.80 THRA (0.46) MEN1KMT2ATHRBTHRALMNA
SCHEMBL28261969 0.78 CA2 (0.41) MAPTALDH1A1
SCHEMBL4684596 0.76 ALDH1A1 (0.50) MEN1KMT2AGAATHRBMAPT
SCHEMBL31394454 0.75 KMT2A (0.44) L3MBTL1KMT2ATHRBALDH1A1THRA
SCHEMBL27491752 0.75 THRB (0.47) MEN1KMT2AGAATHRBMAPT
SCHEMBL7413609 0.75 PDGFRB (0.54) L3MBTL1GAAMAPTMAOBTDP1
SCHEMBL10247270 0.74 PTPN1 (0.49) L3MBTL1MEN1KMT2AGAAMAPT

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-1973906-A1 HYDROXYDIHYDROPYRIDOPY RAZINE-1,8-DIONES AND METHODS FOR INHIBITING HIV INTEGRASE Virochem Pharma Inc. (CA) 2008-10-01 EP disclosed
WO-2006066414-A1 HYDROXYDIHYDROPYRIDOPY RAZINE-1,8-DIONES AND METHODS FOR INHIBITING HIV INTEGRASE VIROCHEM PHARMA INC. (CA) 2006-06-29 WO disclosed