SCHEMBL8559737

SCHEMBL8559737

[c]1nc(-c2c[nH]c3ccccc23)co1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 4/20 0.51
RAB9A P51151 4/20 0.51
HSD17B10 Q99714 2/20 0.51
THRB P10828 2/20 0.51
ALOX15 P16050 1/20 0.51
PPARG P37231 1/20 0.51
NCOA2 Q15596 1/20 0.51
CLK1 P49759 1/20 0.50
GSK3B P49841 1/20 0.50
CDK5 Q00535 1/20 0.50
DYRK1A Q13627 1/20 0.50
CDK5R1 Q15078 1/20 0.50
MAP3K14 Q99558 1/20 0.50
HTT P42858 1/20 0.49
NPC1 O15118 2/20 0.48

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
SCHEMBL4210863 0.75 KIF11 (0.44) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL403808 0.72 MEN1 (0.54) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1202543 0.72 IMPDH2 (0.63) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL25034150 0.72 TUBB4A (0.68) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL20017671 0.72 CLK1 (0.58) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2118588 0.71 ENPP3 (0.43) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8561260 0.71 MEN1 (0.55) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6797540 0.71 LRRK2 (0.53) ALDH1A1KDM4ERAB9ANPC1MAPK1
SCHEMBL6428705 0.71 MAPT (0.51) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2929592 0.71 IMPDH2 (0.46) MAPTSMN1; SMN2MEN1KMT2AALDH1A1

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-0821675-A1 NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-02-04 EP disclosed
WO-1996033176-A1 NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-10-24 WO disclosed