SCHEMBL24735685

SCHEMBL24735685

CC(=O)c1cn(C)c2cccc(NC(=O)OC(C)(C)C)c12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.43
NR4A2 P43354 1/20 0.38
CNR2 P34972 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
GPR139 Q6DWJ6 1/20 0.37
BRD9 Q9H8M2 1/20 0.37
METAP1 P53582 1/20 0.36
BRD4 O60885 3/20 0.36
P2RX7 Q99572 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
CYP17A1 P05093 2/20 0.35
IDO1 P14902 1/20 0.35
HTT P42858 1/20 0.35
MAOB P27338 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
SCHEMBL24735686 0.88 RXFP1 (0.38) RXFP1NR4A2CNR2MEN1NPC1
SCHEMBL20905336 0.84 P2RX7 (0.42) RXFP1CNR2MEN1KMT2ABRD9
SCHEMBL24735684 0.80 PIK3CD (0.39) RXFP1CNR2GPR139BRD9METAP1
SCHEMBL31167247 0.76 RXFP1 (0.54) RXFP1CNR2MEN1NPC1RAB9A
SCHEMBL29992092 0.75 RXFP1 (0.59) RXFP1CNR2MEN1NPC1RAB9A
SCHEMBL15368377 0.75 RXFP1 (0.59) RXFP1CNR2MEN1NPC1RAB9A
SCHEMBL18254251 0.75 NR4A2 (0.49) NR4A2CNR2MEN1NPC1RAB9A
SCHEMBL29324602 0.74 RXFP1 (0.52) RXFP1MEN1NPC1RAB9AKMT2A
SCHEMBL25752496 0.72 CNR2 (0.38) RXFP1CNR2NPC1RAB9A
SCHEMBL20905335 0.72 CNR2 (0.44) RXFP1CNR2BRD9BRD4P2RX7

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-2022258057-A1 COMPOUNDS AS ANTICANCER AGENTS JINGRUI BIOPHARMA CO., LTD. (CN) 2022-12-15 WO disclosed