SCHEMBL25713454

SCHEMBL25713454

CC(C)C(=O)c1ccc(-c2c3ccc(=N)cc-3oc3cc(N)ccc23)c(C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.60
USP2 O75604 3/20 0.58
CFTR P13569 1/20 0.58
PAX8 Q06710 1/20 0.58
ATM Q13315 1/20 0.58
GOPC Q9HD26 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.53
CA9 Q16790 9/20 0.39
MEN1 O00255 1/20 0.39
ALPL P05186 1/20 0.39
POLB P06746 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
KMT2A Q03164 1/20 0.39
CA1 P00915 7/20 0.36
CA2 P00918 7/20 0.36
CA12 O43570 2/20 0.34
ESR1 P03372 1/20 0.34
DNASE1L3 Q13609 1/20 0.34
PRMT1 Q99873 1/20 0.34

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
SCHEMBL14627720 0.90 ABCB1 (0.63) ABCB1USP2CFTRPAX8ATM
SCHEMBL29483446 0.90 ABCB1 (0.63) ABCB1USP2CFTRPAX8ATM
SCHEMBL12716297 0.89 ABCB1 (0.63) ABCB1USP2CFTRPAX8ATM
SCHEMBL25717462 0.86 ABCB1 (0.60) ABCB1USP2CFTRPAX8ATM
SCHEMBL19269176 0.86 ABCB1 (0.62) ABCB1USP2CFTRPAX8ATM
SCHEMBL9976340 0.85 ABCB1 (0.74) ABCB1USP2CFTRPAX8ATM
SCHEMBL12307302 0.85 ABCB1 (0.65) ABCB1USP2CFTRPAX8ATM
SCHEMBL25717600 0.84 ABCB1 (0.60) ABCB1USP2CFTRPAX8ATM
SCHEMBL17342806 0.83 ABCB1 (0.58) ABCB1USP2CFTRPAX8ATM
SCHEMBL17342811 0.83 ABCB1 (0.58) ABCB1USP2CFTRPAX8ATM

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
US-20230193361-A1 METHODS AND COMPOSITIONS USEFUL FOR NUCLEIC ACID SEQUENCING FIRST-CITIZENS BANK & TRUST COMPANY 2023-06-22 US disclosed