SCHEMBL29956091

SCHEMBL29956091

CNC(=O)c1cc(C=O)cc(OC2CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.40
RAF1 P04049 3/20 0.38
FAAH O00519 2/20 0.38
KAT6A Q92794 1/20 0.38
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PLK1 P53350 2/20 0.36
KAT2B Q92831 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
PARP10 Q53GL7 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
GRM5 P41594 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL29952314 0.82 UNG (0.42) EPHX2FAAHPARP10KMT2A
SCHEMBL29952760 0.81 PARP10 (0.51) EPHX2PARP10
SCHEMBL3930464 0.80 PLK1 (0.51) HPGDSMN1; SMN2PLK1MEN1KMT2A
SCHEMBL16348552 0.78 HDAC8 (0.47) RAF1HPGDTSHRHTTSMN1; SMN2
SCHEMBL29955607 0.75 CA12 (0.42) RAF1HPGDTSHRHTTSMN1; SMN2
SCHEMBL29956368 0.72 GRM5 (0.46) EPHX2RAF1GRM5
SCHEMBL3934286 0.72 MMP13 (0.40) RAF1HPGDTSHRHTTSMN1; SMN2
SCHEMBL29954729 0.72 PTPN1 (0.36) EPHX2FAAHPARP10
SCHEMBL29956100 0.71 KAT2B (0.50) HPGDTSHRSMN1; SMN2PLK1KAT2B
SCHEMBL29957292 0.70 KAT2B (0.52) HPGDTSHRSMN1; SMN2KAT2BBAZ2B

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