SCHEMBL29934381

SCHEMBL29934381

CC1=C(CCC(C)C)C(=O)NC1=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.50
PTPN2 P17706 2/20 0.44
PTPN1 P18031 2/20 0.44
CDC25B P30305 2/20 0.44
DHODH Q02127 1/20 0.36
DAO P14920 2/20 0.35
SORT1 Q99523 2/20 0.35
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.31
MAPT P10636 2/20 0.31
HTT P42858 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
ALOX15 P16050 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
XBP1 P17861 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL18197791 0.82 IDO1 (0.42) IDO1PTPN2PTPN1CDC25BMAOA
SCHEMBL9205144 0.81 PTPN2 (0.38) IDO1PTPN2PTPN1CDC25B
SCHEMBL24465058 0.78 PTPN2 (0.35) IDO1PTPN2PTPN1CDC25BDAO
SCHEMBL3635614 0.76 IDO1 (0.40) IDO1PTPN2PTPN1CDC25BMAOA
SCHEMBL18197823 0.76 PTPN2 (0.38) IDO1PTPN2PTPN1CDC25B
SCHEMBL8443621 0.76 MAPT (0.40) PTPN2PTPN1CDC25BMAOASMN1; SMN2
SCHEMBL2579044 0.76 MAPT (0.40) PTPN2PTPN1CDC25BMAOASMN1; SMN2
SCHEMBL8443084 0.76 MAPT (0.40) PTPN2PTPN1CDC25BMAOASMN1; SMN2
SCHEMBL8442749 0.76 MAPT (0.40) PTPN2PTPN1CDC25BMAOASMN1; SMN2
SCHEMBL1187679 0.73 IDO1 (0.57) IDO1PTPN2PTPN1CDC25BDHODH

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-4074704-A1 QUINOLINE COMPOUNDS WITH ANTI-CANCER ACTIVITY CanBas Co., Ltd. (JP) 2022-10-19 EP disclosed