SCHEMBL7363929

SCHEMBL7363929

CC(=O)c1ccc(F)cc1Br.CCc1ccc(F)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2R P25116 2/20 0.47
HSD17B1 P14061 1/20 0.41
PKM P14618 2/20 0.40
P2RX7 Q99572 2/20 0.39
MAOB P27338 5/20 0.38
MAOA P21397 2/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
MAPT P10636 3/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL30480694 0.88 F2R (0.48) F2RPKMMAOBMAOACES2
SCHEMBL120277 0.88 F2R (0.48) F2RPKMMAOBMAOACES2
SCHEMBL30005666 0.84 PKM (0.42) F2RPKMP2RX7MAOBMAPT
SCHEMBL3711398 0.84 PKM (0.42) F2RPKMP2RX7MAOBMAPT
SCHEMBL12304999 0.79 CES2 (0.45) HSD17B1PKMMAOBMAOACES2
SCHEMBL157139 0.76 P2RX7 (0.45) F2RPKMP2RX7MAOBCES2
SCHEMBL5952920 0.76 F2R (0.48) F2RPKMCES2CES1MAPT
SCHEMBL7363932 0.75 PTPN1 (0.64) PKMMAPTKDM4ELMNATP53
SCHEMBL8204240 0.74 MAPT (0.46) HSD17B1PKMMAOBMAOAMAPT
SCHEMBL21780538 0.73 F2R (0.56) F2RPKMCES2CES1MAPT

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-1112269-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-07-04 EP disclosed
WO-2000015634-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-03-23 WO disclosed