SCHEMBL24933146

SCHEMBL24933146

Cc1cc(C(=O)CCCNC(=O)OC(C)(C)C)cc(C)c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
CA1 P00915 9/20 0.43
CA2 P00918 9/20 0.43
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
TSHR P16473 1/20 0.41
CA12 O43570 5/20 0.40
CA9 Q16790 5/20 0.40
FPR3 P25089 2/20 0.39
FPR2 P25090 2/20 0.39
BRD4 O60885 1/20 0.39

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
SCHEMBL29746426 0.92 TDP1 (0.41) TDP1MEN1KMT2AGAACA1
SCHEMBL19948710 0.92 TDP1 (0.41) TDP1MEN1KMT2AGAACA1
SCHEMBL1760150 0.81 HDAC1 (0.49) TDP1MEN1KMT2AGAACA1
SCHEMBL31511027 0.81 TDP1 (0.46) TDP1MEN1KMT2AGAASMN1; SMN2
SCHEMBL1929771 0.78 SIGMAR1 (0.52) TDP1MEN1KMT2AGAACA1
SCHEMBL15262995 0.78 PTGER4 (0.46) TDP1MEN1KMT2AGAACA1
SCHEMBL205459 0.78 CA1 (0.45) TDP1MEN1KMT2AGAACA1
SCHEMBL24746443 0.78 CA1 (0.45) TDP1MEN1KMT2AGAACA1
SCHEMBL29925130 0.78 CA1 (0.45) TDP1MEN1KMT2AGAACA1
SCHEMBL29891357 0.78 CA1 (0.45) TDP1MEN1KMT2AGAACA1

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
EP-4119558-A1 PYRAZOLOPYRIDINE COMPOUNDS AND USES THEREOF Incyte Corporation (US) 2023-01-18 EP disclosed