SCHEMBL25751856

SCHEMBL25751856

C=Cn1cc(CC(=O)OC)nc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 4/20 0.40
USP2 O75604 1/20 0.40
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.34
THRB P10828 1/20 0.34
BLM P54132 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 3/20 0.34
KDM5B Q9UGL1 1/20 0.34
LMNA P02545 1/20 0.34
HSP90AB1 P08238 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL25751886 0.83 L3MBTL1 (0.43) KDM4EALDH1A1MAPTTDP1GAA
SCHEMBL25751888 0.82 HTT (0.30)
SCHEMBL25751854 0.75 KDM4E (0.42) KDM4EALDH1A1USP2MEN1KMT2A
SCHEMBL24738902 0.73 CA1 (0.42) KDM4ELMNA
SCHEMBL21375807 0.72 GRM2 (0.38) KDM4EALDH1A1MEN1KMT2ATP53
SCHEMBL21368401 0.72 SMN1; SMN2 (0.34) SMN1; SMN2
SCHEMBL21368402 0.72
SCHEMBL21367898 0.67 ALDH1A1 (0.39) ALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL2436949 0.66 NPC1 (0.42) KDM4EALDH1A1USP2MEN1KMT2A
SCHEMBL31716041 0.66 KDM4E (0.49) KDM4EALDH1A1USP2MEN1KMT2A

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
WO-2023122782-A2 INDOLES, INDAZOLES, AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD THE KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-06-29 WO disclosed