SCHEMBL31453539

SCHEMBL31453539

CCOC(=O)/C=C/C(=O)N(C)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MDM2 Q00987 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.39
TTR P02766 1/20 0.38

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
SCHEMBL31453654 0.85 CYP3A4 (0.40) MAPTLMNAMEN1KMT2AHCAR2
SCHEMBL31453566 0.83 CYP3A4 (0.39) MAPTLMNAMEN1KMT2AHCAR2
SCHEMBL23647319 0.82 HCAR2 (0.42) MAPTLMNAMEN1KMT2AHCAR2
SCHEMBL31453677 0.81 ALDH1A1 (0.45) MAPTLMNAKMT2AALDH1A1TSHR
SCHEMBL31453570 0.81 MAPT (0.41) MAPTLMNAMEN1KMT2AHCAR2
SCHEMBL31453617 0.80 FDPS (0.44) MAPTLMNACYP1A2CYP2C9CYP2C19
SCHEMBL31453729 0.79 LMNA (0.38) MAPTLMNAMEN1KMT2ACYP2C9
SCHEMBL31453543 0.79 CNKSR1 (0.37) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL31453735 0.78 ALDH1A1 (0.41) MAPTLMNAMEN1KMT2AHCAR2
SCHEMBL31453578 0.78 MAPT (0.43) MAPTLMNAMEN1KMT2AHCAR2

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
WO-2025016138-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SUZHOU EOC MEDICAL RESEARCH CO., LTD. (CN) 2025-01-23 WO disclosed