SCHEMBL23668060

SCHEMBL23668060

C[C@H]1[C@H]2N(C(=O)CN(C)N2C(=O)NCc2ccccc2)[C@@H](Cc2cc[c]cc2)C(=O)N1Cc1cccc2cccnc12

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 3/20 0.80
TCF4 P15884 2/20 0.80
CREBBP Q92793 2/20 0.80
CLPP Q16740 3/20 0.40
CYP3A4 P08684 14/20 0.38
TCF7 P36402 2/20 0.38
BCL9 O00512 1/20 0.38
MAPK1 P28482 1/20 0.35

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
SCHEMBL15477009 1.00 CTNNB1 (0.80) CTNNB1TCF4CREBBPCLPPCYP3A4
SCHEMBL1591993 0.99 CTNNB1 (0.79) CTNNB1TCF4CREBBPCLPPCYP3A4
SCHEMBL15648154 0.92 CTNNB1 (0.83) CTNNB1TCF4CREBBPCLPPCYP3A4
SCHEMBL1592280 0.92 CTNNB1 (0.83) CTNNB1TCF4CREBBPCLPPCYP3A4
SCHEMBL15647478 0.92 CTNNB1 (0.83) CTNNB1TCF4CREBBPCLPPCYP3A4
SCHEMBL15476709 0.91 CTNNB1 (0.87) CTNNB1TCF4CREBBPCLPPCYP3A4
SCHEMBL16966310 0.90 CTNNB1 (0.65) CTNNB1TCF4CREBBPCLPPCYP3A4
SCHEMBL1592209 0.89 CTNNB1 (0.64) CTNNB1TCF4CREBBPCLPPCYP3A4
SCHEMBL15309402 0.89 CTNNB1 (0.76) CTNNB1TCF4CREBBPCLPPCYP3A4
Phosphoric Acid SCHEMBL25382778 0.89 CTNNB1 (0.84) CTNNB1TCF4CREBBPCLPPCYP3A4

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-3311841-B1 ANTICANCER AGENT PRISM BIOLAB CO LTD (JP) 2021-07-28 EP claimed