SCHEMBL641033

SCHEMBL641033

CC(C)(C)C(C(=O)O)(c1ccccc1)n1c(=O)[nH]c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.45
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
HSD11B1 P28845 1/20 0.40
HSP90AA1 P07900 3/20 0.38
P2RX7 Q99572 1/20 0.37
MAPT P10636 1/20 0.37
B3GNT2 Q9NY97 2/20 0.36
RAB9A P51151 1/20 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
SCHEMBL640777 0.84 DAO (0.48) DAOKMT2AMEN1B3GNT2
SCHEMBL638524 0.81 PGR (0.40) B3GNT2
SCHEMBL1268409 0.78 DAO (0.55) DAOKMT2APOLBMEN1CYP1A2
SCHEMBL2310781 0.72 DAO (0.46) DAOKMT2APOLBMEN1CYP1A2
SCHEMBL4147944 0.71 DAO (0.55) DAOKMT2APOLBMEN1CYP1A2
SCHEMBL18948019 0.71 CYP1A2 (0.60) DAOKMT2APOLBMEN1CYP1A2
SCHEMBL7651882 0.69 ADORA3 (0.54) KMT2ACYP1A2
SCHEMBL640651 0.68 POLB (0.59) DAOKMT2APOLBMEN1CYP1A2
SCHEMBL27957535 0.67 DAO (0.50) DAOKMT2APOLBMEN1CYP1A2
SCHEMBL5266608 0.67 DAO (0.50) DAOKMT2APOLBMEN1CYP1A2

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-8119676-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use Abbott GmbH & Co. HG (DE) 2012-02-21 US disclosed