SCHEMBL4751950

SCHEMBL4751950

COC(=O)c1cc2c(s1)C(OC)CN(C)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
KDM4E B2RXH2 5/20 0.40
HPGD P15428 5/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
RAB9A P51151 2/20 0.40
MAPK1 P28482 2/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 3/20 0.38
GLA P06280 2/20 0.38
ATM Q13315 2/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 3/20 0.35
HSD17B10 Q99714 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL4748892 0.91 KDM4E (0.37) ALDH1A1KDM4EHPGDMAPK1SMN1; SMN2
SCHEMBL4748891 0.91 KDM4E (0.37) ALDH1A1KDM4EHPGDMAPK1SMN1; SMN2
SCHEMBL3308515 0.87 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDL3MBTL1RAB9A
SCHEMBL3307455 0.80 HPGD (0.40) ALDH1A1KDM4EHPGDL3MBTL1RAB9A
SCHEMBL4751943 0.77 DRD1 (0.34) MAPK1CYP1A2HSD17B10TSHRLMNA
SCHEMBL3309479 0.76 KDM4E (0.54) ALDH1A1KDM4EHPGDL3MBTL1RAB9A
SCHEMBL3304805 0.74 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDMAPK1SMN1; SMN2
SCHEMBL1174522 0.74 HDAC6 (0.53) ALDH1A1KDM4EHPGDL3MBTL1RAB9A
SCHEMBL3307517 0.73 KDM4E (0.40) ALDH1A1KDM4EHPGDL3MBTL1RAB9A
SCHEMBL13550058 0.73 KDM4E (0.52) ALDH1A1KDM4EHPGDL3MBTL1RAB9A

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
WO-2008135526-A1 CARBOXYLIC ACID AMIDES AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-13 WO disclosed