SCHEMBL29956773

SCHEMBL29956773

Cc1ccc2c(c1)NC(=O)C2C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
USP2 O75604 1/20 0.39
EPHX2 P34913 1/20 0.37
TSHR P16473 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MMP12 P39900 1/20 0.36
PIM1 P11309 2/20 0.36
PIM2 Q9P1W9 2/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
TNKS O95271 1/20 0.35
CSNK1G1 Q9HCP0 1/20 0.35
ATM Q13315 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 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
SCHEMBL29952427 0.86 EPHX2 (0.40) GAAUSP2EPHX2MEN1KMT2A
SCHEMBL29955806 0.79 CACNB4 (0.41) GAAPIM1PIM2
SCHEMBL29954713 0.79 HTR7 (0.36) MEN1KMT2APIM1PIM2MAPT
SCHEMBL29957172 0.79 CA2 (0.43) PIM1PIM2ALDH1A1
SCHEMBL24112743 0.77 PGR (0.46) GAAUSP2EPHX2TSHRMMP12
SCHEMBL13091038 0.77 PGR (0.46) GAAUSP2EPHX2TSHRMMP12
SCHEMBL16997522 0.76 USP2 (0.36) GAAUSP2EPHX2TSHRMEN1
SCHEMBL19563004 0.75 GAA (0.40) GAAUSP2TSHRMEN1KMT2A
SCHEMBL21637687 0.75 USP2 (0.38) GAAUSP2EPHX2TSHRMEN1
SCHEMBL1101964 0.74 IDO1 (0.47) GAAMEN1KMT2ACREBBPKDM4E

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed