SCHEMBL29922425

SCHEMBL29922425

CC(C)(CC(=O)O)C(=O)c1cccc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53BP1 Q12888 1/20 0.49
PARP1 P09874 1/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 2/20 0.44
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
RIPK1 Q13546 1/20 0.43
TSHR P16473 1/20 0.43
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL29922120 0.82 TP53BP1 (0.45) TP53BP1PARP1LMNASMN1; SMN2MEN1
SCHEMBL6400748 0.81 CYP2C19 (0.53) SMN1; SMN2MEN1KMT2AALDH1A1TSHR
SCHEMBL16451199 0.79 PARP1 (0.57) TP53BP1PARP1LMNASMN1; SMN2MEN1
SCHEMBL4656482 0.77 PARP1 (0.63) TP53BP1PARP1LMNASMN1; SMN2MEN1
SCHEMBL9559865 0.76 PARP1 (0.58) TP53BP1PARP1LMNASMN1; SMN2MEN1
SCHEMBL16449234 0.76 PARP1 (0.53) TP53BP1PARP1LMNASMN1; SMN2MEN1
SCHEMBL6399354 0.76 TP53 (0.58) LMNASMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL16183174 0.73 CYP2C19 (0.50) TP53BP1PARP1LMNASMN1; SMN2MEN1
SCHEMBL30673452 0.73 CYP2C19 (0.50) TP53BP1PARP1LMNASMN1; SMN2MEN1
SCHEMBL5255871 0.73 PARP1 (0.50) TP53BP1PARP1LMNASMN1; SMN2MEN1

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-2022188735-A1 HETEROCYCLIC COMPOUNDS AS HPK1 INHIBITORS GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2022-09-15 WO disclosed