SCHEMBL28025211

SCHEMBL28025211

CN[S+]([O-])c1cccc(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA6 P23280 1/20 0.44
CA9 Q16790 1/20 0.44
KDM4E B2RXH2 2/20 0.42
TP53 P04637 1/20 0.42
HSD17B10 Q99714 2/20 0.42
KMO O15229 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 2/20 0.41
UNG P13051 1/20 0.41
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MYC P01106 1/20 0.40
POLB P06746 1/20 0.40
HSPA1A P0DMV8 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
SCHEMBL835559 0.80 CA12 (0.48) CA12CA1CA2CA6CA9
SCHEMBL1447598 0.80 CA12 (0.52) CA12CA1CA2CA6CA9
SCHEMBL25504336 0.79 KMT2A (0.45) CA12CA1CA2CA6CA9
SCHEMBL16392257 0.79 NPC1 (0.46) KDM4ETP53HSD17B10KMT2AMEN1
SCHEMBL23023648 0.78 TSHR (0.48) CA12CA1CA2CA6CA9
SCHEMBL23513558 0.77 CA12 (0.46) CA12CA1CA2CA6CA9
SCHEMBL23513694 0.77 CA12 (0.46) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL28375462 0.75 CA12 (0.60) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL680956 0.75 CA12 (0.60) CA12CA1CA2CA6CA9
SCHEMBL24140002 0.74 CSNK2A1 (0.37) KDM4ETP53KMOCYP2C9KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108467369-B Biaryl amide compounds as kinase inhibitors 诺华股份有限公司 2021-08-20 CN disclosed
CN-108467369-A BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS 诺华股份有限公司 2018-08-31 CN disclosed
CN-105143209-B Biaryl amide compounds as kinase inhibitors 诺华股份有限公司 2018-03-13 CN disclosed
CN-105143209-A Biaryl amide compounds as kinase inhibitors NOVARTIS AG 2015-12-09 CN disclosed