SCHEMBL21090746

SCHEMBL21090746

CC(C)c1ccc2c(=O)n(C3CC3)c(N)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 7/20 0.47
ALOX15 P16050 2/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HCAR1 Q9BXC0 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TBK1 Q9UHD2 1/20 0.36
ATM Q13315 1/20 0.36
TSHR P16473 2/20 0.35
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SCN4A P35499 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL21090745 0.82 CTSD (0.50) CTSDALOX15GAAKDM4EHSD17B10
SCHEMBL21090792 0.80 CTSD (0.50) CTSDALOX15GAAKDM4EHSD17B10
SCHEMBL24254123 0.79 KDM4E (0.58) CTSDKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL21064290 0.71 CTSD (0.42) CTSDALOX15GAAKDM4EHSD17B10
SCHEMBL24827795 0.69 CRBN (0.69) ALOX15GAA
SCHEMBL15341911 0.68 KDM4E (0.55) GAAKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL22736790 0.67 TSHR (0.40) CTSDALOX15GAATSHRPIK3CA
SCHEMBL1664215 0.67 TRPV1 (0.55) ALOX15GAAKDM4EHSD17B10ALDH1A1
SCHEMBL13244586 0.66 USP5 (0.44) GAAKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL1666090 0.66 TRPV1 (0.54) ALOX15GAAKDM4EHSD17B10ALDH1A1

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-2019112719-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS ANGEX PHARMACEUTICAL, INC. (US) 2019-06-13 WO disclosed