SCHEMBL28577858

SCHEMBL28577858

CN(C)C(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(=O)N(C)C)cc2)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TSHR P16473 1/20 0.49
NPY5R Q15761 3/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA4 P22748 2/20 0.47
CA5A P35218 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA5B Q9Y2D0 2/20 0.47
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PGR P06401 1/20 0.45

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
SCHEMBL21218592 0.88 TSHR (0.49) TSHRNPY5RHPGDSMN1; SMN2PGR
SCHEMBL18154536 0.87 NPY5R (0.50) TDP1TSHRNPY5RHPGDSMN1; SMN2
SCHEMBL18154532 0.83 TSHR (0.56) TSHRCA12CA1CA2CA9
SCHEMBL18154535 0.78 TSHR (0.54) TSHRCA12CA1CA2CA9
Fenuron SCHEMBL9451054 0.77 TSHR (0.64) TSHRCA12CA1CA2CA9
Fenuron SCHEMBL8366971 0.77 TSHR (0.64) TSHRCA12CA1CA2CA9
Fenuron SCHEMBL10806698 0.77 TSHR (0.64) TSHRCA12CA1CA2CA9
Fenuron SCHEMBL62004 0.77 TSHR (0.64) TSHRCA12CA1CA2CA9
SCHEMBL687878 0.75 TSHR (0.79) TDP1TSHRCA12CA1CA2
SCHEMBL9479416 0.74 MAPT (0.63) TSHR

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
CN-107428915-B Curing agent and curing accelerator (II) having flame retardant effect for curing epoxy resin 澳泽化学特罗斯特贝格有限公司 2021-02-09 CN disclosed