SCHEMBL25567339

SCHEMBL25567339

CC(C)(C)OC(=O)N1CCC(c2ccc(NC(=O)Nc3ccc4c(c3)NC(=O)C4)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.57
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
PTPN6 P29350 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CRBN Q96SW2 3/20 0.48
DDB1 Q16531 2/20 0.48
FPR2 P25090 3/20 0.46
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
IGF1R P08069 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
JAK1 P23458 1/20 0.43
GPR119 Q8TDV5 2/20 0.42
ABL1 P00519 1/20 0.42

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
SCHEMBL2885375 0.87 CRBN (0.52) NAMPTPTPN2PTPN1PTPN6NPC1
SCHEMBL16047746 0.81 CRBN (0.58) NAMPTPTPN2PTPN1PTPN6CRBN
SCHEMBL30847573 0.81 CRBN (0.58) NAMPTPTPN2PTPN1PTPN6CRBN
SCHEMBL7667693 0.79 NAMPT (0.69) NAMPTPTPN2PTPN1PTPN6NPC1
SCHEMBL16835041 0.78 NAMPT (0.67) NAMPTPTPN2PTPN1PTPN6NPC1
SCHEMBL5466754 0.77 NAMPT (0.61) NAMPTPTPN2PTPN1PTPN6NPC1
SCHEMBL10127488 0.76 NAMPT (0.71) NAMPTPTPN2PTPN1PTPN6NPC1
SCHEMBL15587463 0.76 NAMPT (0.65) NAMPTPTPN2PTPN1PTPN6NPC1
SCHEMBL15379413 0.75 PTPN2 (0.67) NAMPTPTPN2PTPN1PTPN6NPC1
SCHEMBL3654523 0.75 BRD4 (0.48) CRBNCA12CA1CA9TRPV1

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-2023078207-A1 6-POSITION-SUBSTITUTED INDOLINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 南京中医药大学 2023-05-11 WO disclosed