SCHEMBL30117232

SCHEMBL30117232

Cc1ccccc1-c1cc(Br)c2c(c1)CN(C(=O)OC(C)(C)C)CCO2

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 6/20 0.55
RIPK1 Q13546 1/20 0.44
MAPK1 P28482 1/20 0.42
ESR2 Q92731 1/20 0.40
NR1H2 P55055 1/20 0.40
LMNA P02545 1/20 0.39
UCHL1 P09936 1/20 0.37
BRD4 O60885 1/20 0.37
USP30 Q70CQ3 1/20 0.36
PIK3CD O00329 1/20 0.36
EPHX1 P07099 1/20 0.36
NAMPT P43490 2/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL19643748 1.00 CREBBP (0.55) CREBBPRIPK1MAPK1ESR2NR1H2
SCHEMBL19644450 0.88 CREBBP (0.55) CREBBPRIPK1MAPK1ESR2NR1H2
SCHEMBL19643780 0.83 CREBBP (0.76) CREBBP
SCHEMBL3276575 0.83 CREBBP (0.54) CREBBPRIPK1MAPK1
SCHEMBL3279644 0.81 MAPK1 (0.49) CREBBPMAPK1ESR2NR1H2UCHL1
SCHEMBL20565298 0.79 RIPK1 (0.67) RIPK1MAPK1ESR2NR1H2LMNA
SCHEMBL2986290 0.79 MAPK1 (0.50) RIPK1MAPK1ESR2NR1H2LMNA
SCHEMBL16461039 0.78 ESR2 (0.44) CREBBPRIPK1MAPK1ESR2NR1H2
SCHEMBL8485212 0.76 NR1H2 (0.62) CREBBPMAPK1ESR2NR1H2UCHL1
SCHEMBL3283796 0.76 UCHL1 (0.52) CREBBPMAPK1ESR2NR1H2UCHL1

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-4067347-A1 HETEROCYCLIC INHIBITORS OF CBP/EP300 FOR THE TREATMENT OF CANCER Genentech, Inc. (US) 2022-10-05 EP disclosed