SCHEMBL8426147

SCHEMBL8426147

Oc1ccc(-c2ncccn2)cc1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
CYP3A4 P08684 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
KMT2A Q03164 1/20 0.54
HIF1A Q16665 1/20 0.54
HSD17B10 Q99714 1/20 0.54
PAX8 Q06710 1/20 0.51
BCL2 P10415 1/20 0.50
BCL2L1 Q07817 1/20 0.50
ALOX5 P09917 1/20 0.45
SLC7A5 Q01650 1/20 0.44
IDH1 O75874 1/20 0.43
PTPN1 P18031 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ACMSD Q8TDX5 1/20 0.40
BACE1 P56817 1/20 0.40
ADRB2 P07550 1/20 0.40

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
SCHEMBL10558399 0.84 MEN1 (0.67) MEN1CYP3A4HPGDALOX15KMT2A
SCHEMBL29738649 0.81 MEN1 (0.62) MEN1CYP3A4HPGDALOX15KMT2A
SCHEMBL8992573 0.81 MEN1 (0.62) MEN1CYP3A4HPGDALOX15KMT2A
SCHEMBL12117408 0.81 ADRB2 (0.43) MEN1CYP3A4KMT2APAX8BCL2
SCHEMBL7676241 0.79 SLC6A9 (0.41) HPGDPAX8BCL2BCL2L1CYP11B1
SCHEMBL8426083 0.75 IGF1R (0.51) HSD17B10PTPN1KDM4ECYP11B1CYP11B2
SCHEMBL10886054 0.73 IDH1 (0.70) MEN1CYP3A4HPGDALOX15KMT2A
SCHEMBL9173452 0.73 IDH1 (0.70) MEN1CYP3A4HPGDALOX15KMT2A
SCHEMBL390179 0.73 ALOX5 (0.71) MEN1CYP3A4HPGDALOX15KMT2A
SCHEMBL2514742 0.72 BCL2 (0.82) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5928562-A HAVING EXTENDED HYDROCARBON ETHER GROUP ADJACENT TO A TERMINAL FLUOROALKYL OR FLUOROETHER GROUP; LOW VISCOSITY; HIGH SPEED RESPONSE; BRIGHTNESS; COMMPATIBILITY; DISPLAYS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-07-27 US disclosed