SCHEMBL31723109

SCHEMBL31723109

COc1cc(C)cc2oc(C(N)=O)cc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.50
GPR55 Q9Y2T6 1/20 0.50
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 2/20 0.47
CA2 P00918 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.37
ACHE P22303 1/20 0.37
THRB P10828 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36

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
SCHEMBL25934300 0.87 CNR2 (0.50) CNR2GPR55ALDH1A1KMT2ACA2
SCHEMBL24313725 0.82 AKR1B1 (0.51) CNR2GPR55ALDH1A1KDM4EHPGD
SCHEMBL29540477 0.72 KMT2A (0.63) ALDH1A1KMT2ACA2SMN1; SMN2MAPT
SCHEMBL1004368 0.71 ACHE (0.48) CNR2ALDH1A1SMN1; SMN2POLBACHE
SCHEMBL4600109 0.71 KDM4E (0.54) ALDH1A1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL25934175 0.71 LMNA (0.44) ALDH1A1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL6241919 0.71 ALDH1A1 (0.60) ALDH1A1KMT2ACA2MAPTMEN1
SCHEMBL14826298 0.70 KDM4E (0.71) CNR2GPR55ALDH1A1CA2MAPT
SCHEMBL20711137 0.70 CNR2 (0.55) CNR2GPR55ALDH1A1KMT2APOLB
SCHEMBL15348484 0.70 MCL1 (0.45) CNR2ALDH1A1KMT2ACA2SMN1; SMN2

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-4229045-B1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER BROAD INST INC (US) 2025-11-12 EP claimed