SCHEMBL30375607

SCHEMBL30375607

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.65
ALDH1A1 P00352 3/20 0.53
MAPT P10636 2/20 0.53
SRD5A2 P31213 2/20 0.52
TTR P02766 2/20 0.50
ALOX15 P16050 1/20 0.48
TP53 P04637 2/20 0.46
KDM4E B2RXH2 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
PTGS2 P35354 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL112432 1.00 TSHR (0.65) TSHRALDH1A1MAPTSRD5A2TTR
SCHEMBL2964948 0.83 TSHR (0.43) TSHRALDH1A1MAPTSRD5A2KDM4E
SCHEMBL177140 0.83 TSHR (0.65) TSHRALDH1A1MAPTSRD5A2TTR
SCHEMBL393467 0.81 PARP1 (0.48) TSHRMAPTCA2SMN1; SMN2
SCHEMBL1841487 0.81 MAPT (0.51) TSHRALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL30375381 0.80 CYP1A2 (0.58) ALDH1A1MAPTSRD5A2ALOX15L3MBTL1
SCHEMBL26092638 0.80 CYP1A2 (0.58) ALDH1A1MAPTSRD5A2ALOX15L3MBTL1
SCHEMBL588825 0.79 TTR (0.56) TSHRALDH1A1MAPTSRD5A2TTR
SCHEMBL8352471 0.79 TSHR (1.00) TSHRALDH1A1MAPTSRD5A2TTR
SCHEMBL371998 0.79 TSHR (1.00) TSHRALDH1A1MAPTSRD5A2TTR

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-4426700-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS Merck Patent GmbH (DE) 2024-09-11 EP disclosed
WO-2023078813-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS MERCK PATENT GMBH (DE) 2023-05-11 WO disclosed