SCHEMBL24914043

SCHEMBL24914043

COc1ccc2c(c1)CN(C(=O)c1c(O)cc(O)cc1OCc1ccccc1)CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
GPR183 P32249 1/20 0.47
CHRNA7 P36544 2/20 0.47
KMT2A Q03164 3/20 0.46
NPC1 O15118 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
STS P08842 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
RAB9A P51151 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALOX15 P16050 1/20 0.44
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43

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
SCHEMBL31062032 1.00 CA1 (0.48) CA1CA2CA7CA9CA14
SCHEMBL24914042 0.96 CA1 (0.52) CA1CA2CA7CA9CA14
SCHEMBL30789170 0.96 CA1 (0.52) CA1CA2CA7CA9CA14
SCHEMBL25668992 0.92 HDAC8 (0.44) CA1CA2CA7CA9CA14
SCHEMBL30368448 0.92 HDAC8 (0.44) CA1CA2CA7CA9CA14
SCHEMBL31013763 0.89 CA1 (0.44) CA1CA2CA7CA9CA14
SCHEMBL30156656 0.88 SPR (0.54) CA1CA2CA7CA9CA14
SCHEMBL25669032 0.88 SPR (0.54) CA1CA2CA7CA9CA14
SCHEMBL31013684 0.86 CA1 (0.48) CA1CA2CA7CA9CA14
SCHEMBL24914041 0.85 QRFPR (0.45) GPR183CHRNA7KMT2ANPC1KDM4E

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-2023002165-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2023-01-26 WO disclosed