SCHEMBL3825547

SCHEMBL3825547

O=CC(CNC(=O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
KCNN4 O15554 1/20 0.36
HIF1A Q16665 1/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
PRSS1 P07477 1/20 0.36
CTSG P08311 1/20 0.36
CTRB1 P17538 1/20 0.36
CMA1 P23946 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35

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
SCHEMBL2067964 0.79 IDO1 (0.43) CYP2C19HIF1APRSS1CTSGCTRB1
SCHEMBL30279715 0.79 CYP2C19 (0.42) GAAMEN1KMT2ACYP2C19ALDH1A1
SCHEMBL2065630 0.78 LMNA (0.52) ALDH1A1LMNAPOLBRAB9AHTT
SCHEMBL7075423 0.76 KIF11 (0.44) MEN1KMT2ATSHRCYP2C19CYP1A2
SCHEMBL27883761 0.76 KCNN4 (0.44) MEN1KMT2ATSHRCYP2C19ALDH1A1
SCHEMBL2065478 0.75 MEN1 (0.50) MEN1KMT2ATSHRCYP2C19CYP1A2
SCHEMBL342226 0.74 ALDH1A1 (0.38) KMT2ATSHRCYP2C19CYP1A2ALDH1A1
SCHEMBL3112777 0.73 CYP2C19 (0.47) KMT2ACYP2C19KCNN4HIF1AHDAC3
SCHEMBL9684810 0.72 CYP2C19 (0.56) MEN1KMT2ACYP2C19KCNN4HIF1A
SCHEMBL9684808 0.72 CYP2C19 (0.56) MEN1KMT2ACYP2C19KCNN4HIF1A

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
EP-2099794-A2 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2009-09-16 EP disclosed
WO-2008079873-A2 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 WO disclosed