SCHEMBL9047865

SCHEMBL9047865

Oc1ccc(F)cc1Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
CYP3A4 P08684 1/20 0.62
HPGD P15428 1/20 0.62
ALOX15 P16050 1/20 0.62
KMT2A Q03164 1/20 0.62
HIF1A Q16665 1/20 0.62
HSD17B10 Q99714 1/20 0.62
BCL2 P10415 1/20 0.59
BCL2L1 Q07817 1/20 0.59
ALOX5 P09917 1/20 0.56
IDH1 O75874 1/20 0.50
SLC7A5 Q01650 1/20 0.50
KEAP1 Q14145 1/20 0.46
MAPT P10636 1/20 0.46
HSP90AA1 P07900 2/20 0.43
HNF4A P41235 1/20 0.43
MPO P05164 1/20 0.43
PAX8 Q06710 1/20 0.42

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
SCHEMBL6202888 0.88 MAPT (0.53) MEN1CYP3A4HPGDALOX15KMT2A
SCHEMBL2514742 0.83 BCL2 (0.82) MEN1CYP3A4HPGDALOX15KMT2A
SCHEMBL1616373 0.83 HIF1A (0.54) MEN1CYP3A4HPGDALOX15KMT2A
SCHEMBL8429903 0.83 ALOX15 (0.46) MEN1CYP3A4HPGDALOX15KMT2A
SCHEMBL4814741 0.81 MAPT (0.47) MEN1CYP3A4HPGDALOX15KMT2A
SCHEMBL7054107 0.81 BCL2 (0.71) MEN1CYP3A4HPGDALOX15KMT2A
SCHEMBL390179 0.80 ALOX5 (0.71) MEN1CYP3A4HPGDALOX15KMT2A
SCHEMBL10886054 0.80 IDH1 (0.70) MEN1CYP3A4HPGDALOX15KMT2A
SCHEMBL9173452 0.80 IDH1 (0.70) MEN1CYP3A4HPGDALOX15KMT2A
SCHEMBL10558399 0.80 MEN1 (0.67) MEN1CYP3A4HPGDALOX15KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0540673-B1 ACETYLENE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LAB (US) 1996-10-16 EP disclosed
US-5559144-A LIPOXYGENASE INHIBITORS, INHIBITORS OF BIOSYNTHESIS OF LEUKOTRIENES ABBOTT LABORATORIES (US) 1996-09-24 US disclosed
US-5476873-A Inhibit biosynthesis of leukotrienes ABBOTT LABORATORIES (US) 1995-12-19 US disclosed
EP-0540673-A4 1994-04-27 EP disclosed
EP-0540673-A1 ACETYLENE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY. ABBOTT LAB (US) 1993-05-12 EP disclosed
WO-1992001682-A1 ACETYLENE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LABORATORIES (US) 1992-02-06 WO disclosed