SCHEMBL24735686

SCHEMBL24735686

C/C(=N/O)c1cn(C)c2cccc(NC(=O)OC(C)(C)C)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.38
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
CNR2 P34972 1/20 0.35
NR4A2 P43354 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
BRD4 O60885 2/20 0.34
METAP1 P53582 1/20 0.34
P2RX7 Q99572 1/20 0.34
ELANE P08246 2/20 0.33
PRTN3 P24158 1/20 0.33
GPR139 Q6DWJ6 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 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
SCHEMBL24735685 0.88 RXFP1 (0.43) RXFP1NPC1RAB9AMEN1KMT2A
SCHEMBL20905336 0.80 P2RX7 (0.42) RXFP1MEN1KMT2ACNR2BRD9
SCHEMBL29324603 0.77 RXFP1 (0.46) RXFP1NPC1RAB9AMEN1KMT2A
SCHEMBL24735684 0.76 PIK3CD (0.39) RXFP1CNR2BRD9BRD4METAP1
SCHEMBL18254251 0.71 NR4A2 (0.49) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL25670291 0.71 CNR2 (0.39) RXFP1CNR2BRD9BRD4METAP1
SCHEMBL25752496 0.69 CNR2 (0.38) RXFP1NPC1RAB9ACNR2SMN1; SMN2
SCHEMBL20905335 0.69 CNR2 (0.44) RXFP1CNR2BRD9ALDH1A1BRD4
SCHEMBL30937714 0.69 METAP1 (0.59) RXFP1NPC1RAB9AMEN1KMT2A
SCHEMBL20898923 0.68 P2RX7 (0.41) RXFP1MEN1KMT2ABRD9ALDH1A1

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