SCHEMBL31474589

SCHEMBL31474589

O=C(O)CC(=O)OC(Br)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
GABBR2 O75899 1/20 0.38
GABBR1 Q9UBS5 1/20 0.38
CYP2D6 P10635 2/20 0.38
TSHR P16473 2/20 0.38
SRC P12931 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL31650785 0.81 CES2 (0.44) CES2CES1CYP2C19KMT2ACYP2D6
SCHEMBL27821076 0.81 CRHBP (0.57) CYP2C19KMT2ACRHBPCRHR2GABBR2
SCHEMBL2295734 0.79 LMNA (0.42) CES2CES1CYP2C19KMT2ACRHBP
SCHEMBL31474590 0.78 KMT2A (0.40) CYP2C19KMT2ACRHBPCRHR2GABBR2
SCHEMBL7309367 0.78 HCAR2 (0.53) KMT2ATSHRLMNA
SCHEMBL27471886 0.76 KMT2A (0.39) CES1CYP2C19KMT2ACRHBPCRHR2
SCHEMBL27270004 0.76 APAF1 (0.45) CYP2C19KMT2ATSHRNPSR1LMNA
SCHEMBL6702874 0.76 CES2 (0.50) CES2CES1CYP2C19KMT2ACYP2D6
SCHEMBL11456690 0.76 KDM4E (0.51) CES2CES1CYP2C19KMT2ACYP2D6
SCHEMBL1484827 0.75 EPHX1 (0.46) KMT2ACRHBPCRHR2TSHRCYP1A2

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-119698408-A Process for preparing substituted benzamides 安道麦马克西姆有限公司 2025-03-25 CN disclosed