SCHEMBL6217545

SCHEMBL6217545

CNCc1c(C)[nH]c2cc(C(=O)OC)ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.55
PARP1 P09874 3/20 0.51
RAB9A P51151 1/20 0.50
DYRK1A Q13627 1/20 0.50
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 5/20 0.49
HSD17B10 Q99714 5/20 0.49
HPGD P15428 3/20 0.49
ALOX15 P16050 1/20 0.49
CASP1 P29466 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
ALOX12 P18054 1/20 0.47
MAPK1 P28482 1/20 0.47
PKM P14618 2/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
POLB P06746 1/20 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
SCHEMBL7707225 0.84 KIF11 (0.55) KIF11PARP1RAB9ADYRK1AALDH1A1
SCHEMBL5881993 0.78 PTGS2 (0.47) KIF11PARP1RAB9ADYRK1AALDH1A1
SCHEMBL24100470 0.78 GPR84 (0.68) KIF11PARP1RAB9AKMT2AMEN1
SCHEMBL29708168 0.77 KIF11 (0.84) KIF11PARP1RAB9ADYRK1AALDH1A1
SCHEMBL4725998 0.77 KIF11 (0.84) KIF11PARP1RAB9ADYRK1AALDH1A1
SCHEMBL7419884 0.76 KIF11 (0.58) KIF11PARP1RAB9ADYRK1AALDH1A1
SCHEMBL7422570 0.76 KIF11 (0.55) KIF11PARP1RAB9ADYRK1AALDH1A1
SCHEMBL14001411 0.74 KIF11 (0.52) KIF11PARP1RAB9AALDH1A1KDM4E
SCHEMBL7541380 0.74 KIF11 (0.56) KIF11PARP1RAB9ADYRK1AALDH1A1
SCHEMBL6009589 0.74 KIF11 (0.72) KIF11PARP1RAB9ADYRK1AALDH1A1

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-1560584-A4 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2005-10-12 EP disclosed
EP-1560584-A2 FAB I INHIBITORS Affinium Pharmaceuticals, Inc. (CA) 2005-08-10 EP disclosed
WO-2003088897-A2 FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2003-10-30 WO disclosed