SCHEMBL8312404

SCHEMBL8312404

CCOOCc1ccc(C(=O)/C=C/N(C)C)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.64
ALDH1A1 P00352 9/20 0.64
RAB9A P51151 5/20 0.64
NPC1 O15118 3/20 0.64
KMT2A Q03164 2/20 0.64
HPGD P15428 3/20 0.55
LMNA P02545 5/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
RECQL P46063 2/20 0.54
ALOX12 P18054 1/20 0.54
POLB P06746 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HSP90AA1 P07900 1/20 0.51
HTT P42858 3/20 0.50
MEN1 O00255 1/20 0.48
GAA P10253 3/20 0.47

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
SCHEMBL11462210 0.81 MAPT (0.76) MAPTALDH1A1RAB9ANPC1KMT2A
SCHEMBL11462209 0.81 MAPT (0.76) MAPTALDH1A1RAB9ANPC1KMT2A
SCHEMBL15183943 0.80 MAPT (0.69) MAPTALDH1A1RAB9ANPC1KMT2A
SCHEMBL23251385 0.79 MAPT (0.81) MAPTALDH1A1RAB9ANPC1KMT2A
SCHEMBL801295 0.78 MAPT (0.62) MAPTALDH1A1RAB9ANPC1KMT2A
SCHEMBL4070316 0.77 MAPT (0.60) MAPTALDH1A1RAB9ANPC1KMT2A
SCHEMBL4070320 0.77 MAPT (0.60) MAPTALDH1A1RAB9ANPC1KMT2A
SCHEMBL31276086 0.77 MAPT (0.69) MAPTALDH1A1RAB9ANPC1KMT2A
SCHEMBL5475341 0.77 MAPT (0.69) MAPTALDH1A1RAB9ANPC1KMT2A
SCHEMBL23574721 0.76 MAPT (0.82) MAPTALDH1A1RAB9ANPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1349840-B1 ANILINOPYRIMIDINE DERIVATIVES AS JNK PATHWAY INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARM LLC (US) 2009-03-11 EP disclosed
US-7442699-B2 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC (US) 2008-10-28 US disclosed
WO-2004084901-A1 METHODS FOR TREATING OR PREVENTING AN INFLAMMATORY OR METABOLIC CONDITION BY INHIBITING JNK SIGNAL PHARMACEUTICALS, LLC (US) 2004-10-07 WO disclosed