SCHEMBL8554879

SCHEMBL8554879

Cc1nncc2cc3c(cc12)OCO3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
KDM4E B2RXH2 8/20 0.42
HPGD P15428 6/20 0.42
HSD17B10 Q99714 5/20 0.42
SMN1; SMN2 Q16637 7/20 0.41
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
LMNA P02545 4/20 0.41
TP53 P04637 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
ALOX5 P09917 1/20 0.41
ALOX15 P16050 2/20 0.39
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37
BAK1 Q16611 1/20 0.37
FYN P06241 1/20 0.35
ATM Q13315 1/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 2/20 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
SCHEMBL8488179 0.76 CTSL (0.56) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL17348447 0.74 ALOX5 (0.44) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL8487989 0.73 ACHE (0.49) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL13163265 0.73 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL8553004 0.73 L3MBTL1 (0.46) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL6615708 0.72 CTSL (0.52) ALDH1A1KDM4EHSD17B10SMN1; SMN2RAB9A
SCHEMBL6618788 0.71 CTSL (0.45) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL6617976 0.69 CTSL (0.64) ALDH1A1KDM4EHSD17B10SMN1; SMN2RAB9A
SCHEMBL31678471 0.68 ALDH1A1 (0.57) ALDH1A1KDM4ERAB9ANPC1MAPT
SCHEMBL6616276 0.67 SMN1; SMN2 (0.42) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2

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
EP-0859763-A1 DIHYDROPHTHALAZINE ANTAGONISTS OF EXCITATORY AMINO ACID RECEPTORS Bearsden Bio, Inc. (US) 1998-08-26 EP disclosed