SCHEMBL30474792

SCHEMBL30474792

COC(=O)c1ccc(O)c(C=C(Br)Br)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.59
CA2 P00918 5/20 0.59
CA12 O43570 4/20 0.59
CA7 P43166 4/20 0.59
CA9 Q16790 4/20 0.59
CA14 Q9ULX7 4/20 0.59
XDH P47989 2/20 0.59
ERN1 O75460 2/20 0.54
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 4/20 0.53
HPGD P15428 4/20 0.53
HSD17B10 Q99714 4/20 0.53
ALOX15 P16050 4/20 0.53
LMNA P02545 3/20 0.53
MAPT P10636 3/20 0.53
ALOX12 P18054 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TP53 P04637 2/20 0.53
HTT P42858 2/20 0.53

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
SCHEMBL5326250 1.00 CA1 (0.59) CA1CA2CA12CA7CA9
SCHEMBL25224061 0.87 CA1 (0.59) CA1CA2CA12CA7CA9
SCHEMBL2316486 0.85 CA1 (0.61) CA1CA2CA12CA7CA9
SCHEMBL536876 0.83 KDM4E (0.53) CA1CA2CA12CA7CA9
SCHEMBL310771 0.81 ERN1 (0.77) CA1CA2CA12CA7CA9
SCHEMBL30153141 0.81 ERN1 (0.77) CA1CA2CA12CA7CA9
SCHEMBL5917939 0.80 CA1 (0.62) CA1CA2CA12CA7CA9
SCHEMBL4884293 0.79 KDM4E (0.57) CA1CA2CA12CA7CA9
SCHEMBL25260865 0.79 CA1 (0.45) CA1CA2CA12CA7CA9
SCHEMBL9125499 0.79 CA1 (0.61) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4441033-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF Tango Therapeutics, Inc. (US) 2024-10-09 EP disclosed
CN-118715206-A Novel HDAC inhibitors and therapeutic uses thereof 探戈医药股份有限公司 2024-09-27 CN disclosed
WO-2023102162-A1 TGONOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. (US) 2023-06-08 WO disclosed