SCHEMBL7141105

SCHEMBL7141105

Cc1cc(C(N)=O)c(NC(=O)C(F)(F)F)c(C)c1N1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
PIK3C2B O00750 6/20 0.37
PIK3CD O00329 4/20 0.37
PIK3CG P48736 3/20 0.37
MTOR P42345 2/20 0.37
CNR2 P34972 6/20 0.37
CNR1 P21554 5/20 0.37
PIK3CB P42338 1/20 0.37
ABCC1 P33527 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
JAK2 O60674 1/20 0.35
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
MAPK14 Q16539 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
SCHEMBL7563004 0.81 ALDH1A1 (0.44) ALDH1A1PIK3C2BPIK3CDPIK3CGMTOR
SCHEMBL827977 0.73 ALDH1A1 (0.47) ALDH1A1ABCC1MEN1MAPTKMT2A
SCHEMBL828076 0.71 ALDH1A1 (0.48) ALDH1A1MAPTMAPK9MAPK10
SCHEMBL22362588 0.68 ALDH1A1 (0.44) ALDH1A1MAPTMAPK9MAPK10
SCHEMBL17979907 0.66 ALDH1A1 (0.58) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL27883229 0.66 MAPT (0.46) ALDH1A1PIK3C2BMEN1MAPTKMT2A
SCHEMBL827916 0.64 ALDH1A1 (0.48) ALDH1A1PIK3C2BPIK3CDPIK3CGMTOR
SCHEMBL533138 0.64 NPC1 (0.46) ALDH1A1CNR2MEN1NPC1MAPT
SCHEMBL1200132 0.64 MAPK1 (0.41) ALDH1A1MEN1NPC1MAPTRAB9A
SCHEMBL14984899 0.64 CNR2 (0.53) CNR2CNR1MEN1MAPTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1351946-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2003-10-15 EP disclosed
WO-2002020500-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2002-03-14 WO disclosed