SCHEMBL21603877

SCHEMBL21603877

Cc1sc2c(c1C(=O)NCC1CC1)CC(C)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
KIF11 P52732 1/20 0.41
ALDH1A1 P00352 8/20 0.40
CNR2 P34972 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 5/20 0.39
CNR1 P21554 2/20 0.39
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
HPGD P15428 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 4/20 0.38
MAPT P10636 3/20 0.38
ALOX15 P16050 3/20 0.38
ALOX12 P18054 2/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 2/20 0.37

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
SCHEMBL21603962 0.84 KDM4E (0.35) NPC1RAB9AKIF11ALDH1A1MEN1
SCHEMBL14156337 0.82 CNR2 (0.53) NPC1RAB9AALDH1A1CNR2MEN1
SCHEMBL21597113 0.82 CNR2 (0.50) NPC1RAB9AKIF11CNR2MEN1
SCHEMBL21603918 0.73 ABCC1 (0.33) NPC1RAB9ACNR2CNR1POLB
SCHEMBL21597590 0.71 ALDH1A1 (0.46) ALDH1A1CNR2MEN1KMT2AKDM4E
SCHEMBL21604015 0.68 CNR2 (0.58) ALDH1A1CNR2MEN1KMT2AKDM4E
SCHEMBL21603998 0.68 ALDH1A1 (0.39) NPC1RAB9AKIF11ALDH1A1KDM4E
SCHEMBL21597441 0.68 MAPT (0.36) NPC1RAB9AALDH1A1CNR2MEN1
SCHEMBL21603819 0.68 ALDH1A1 (0.34) NPC1RAB9AKIF11ALDH1A1MEN1
SCHEMBL28920828 0.68 CNR2 (0.50) NPC1RAB9AALDH1A1CNR2KMT2A

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-2019243550-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2019-12-26 WO disclosed