SCHEMBL7995116

SCHEMBL7995116

COC(=O)/C=C/c1ccc(Cn2cncc2C=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.52
CYP11B2 P19099 9/20 0.52
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
TYR P14679 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
PTPN1 P18031 1/20 0.41
CYP1A2 P05177 2/20 0.40
KMT2A Q03164 2/20 0.40
TBXAS1 P24557 2/20 0.40
TTR P02766 1/20 0.40
APP P05067 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 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
SCHEMBL7995117 1.00 CYP11B1 (0.52) CYP11B1CYP11B2CA12CA1CA2
SCHEMBL8325630 0.85 CYP11B1 (0.48) CYP11B1CYP11B2CA12CA1CA2
SCHEMBL7990776 0.84 CYP11B1 (0.55) CYP11B1CYP11B2KDM4ECYP1A2KMT2A
SCHEMBL7990780 0.84 CYP11B1 (0.55) CYP11B1CYP11B2KDM4ECYP1A2KMT2A
SCHEMBL21334813 0.82 CYP11B1 (0.56) CYP11B1CYP11B2HDAC3HDAC4HDAC1
SCHEMBL9641646 0.81 CYP11B1 (0.54) CYP11B1CYP11B2KDM4EKMT2AMEN1
SCHEMBL3882851 0.80 CYP11B2 (0.56) CYP11B1CYP11B2
SCHEMBL7984428 0.78 CYP11B1 (0.61) CYP11B1CYP11B2HDAC1
SCHEMBL8129319 0.77 CYP11B2 (0.62) CYP11B1CYP11B2KDM4EMAPTKMT2A
SCHEMBL8138876 0.75 CYP11B2 (0.56) CYP11B1CYP11B2KDM4EKMT2ALMNA

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-2001009112-A1 NOVEL 8-CARBONYL CHROMAN DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF AVENTIS PHARMA S.A. (FR) 2001-02-08 WO disclosed