SCHEMBL7990780

SCHEMBL7990780

NC(=O)C=Cc1ccc(Cn2cncc2C=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.55
CYP11B2 P19099 6/20 0.55
TBXAS1 P24557 4/20 0.42
CYP1A2 P05177 2/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
HDAC6 Q9UBN7 6/20 0.36
HDAC1 Q13547 5/20 0.36
HDAC8 Q9BY41 5/20 0.36
HDAC3 O15379 4/20 0.36

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
SCHEMBL7990776 1.00 CYP11B1 (0.55) CYP11B1CYP11B2TBXAS1CYP1A2USP2
SCHEMBL7995116 0.84 CYP11B1 (0.52) CYP11B1CYP11B2TBXAS1CYP1A2USP2
SCHEMBL7995117 0.84 CYP11B1 (0.52) CYP11B1CYP11B2TBXAS1CYP1A2USP2
SCHEMBL7981226 0.79 CYP11B1 (0.58) CYP11B1CYP11B2TBXAS1
SCHEMBL8140959 0.78 CYP11B1 (0.67) CYP11B1CYP11B2CYP3A4ALDH1A1
SCHEMBL1758083 0.76 CYP11B1 (0.68) CYP11B1CYP11B2LMNAALDH1A1
SCHEMBL7700254 0.75 CYP11B1 (0.67) CYP11B1CYP11B2ALDH1A1
SCHEMBL7986619 0.75 CYP11B1 (0.67) CYP11B1CYP11B2
SCHEMBL7696780 0.75 CYP11B1 (0.67) CYP11B1CYP11B2LMNAKMT2AALDH1A1
SCHEMBL765399 0.75 CYP11B1 (0.67) CYP11B1CYP11B2ALDH1A1RAB9A

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
WO-2001009124-A1 8-CARBONYL CHROMAN DERIVATIVES, PREPARATION AND THERAPIC USE THEREOF AVENTIS PHARMA S.A. (FR) 2001-02-08 WO disclosed
WO-2001009112-A1 NOVEL 8-CARBONYL CHROMAN DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF AVENTIS PHARMA S.A. (FR) 2001-02-08 WO disclosed