SCHEMBL21177836

SCHEMBL21177836

CC(C)OC(=O)c1ccc2nc(N)sc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.61
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
MAPT P10636 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
LMNA P02545 2/20 0.55
ALDH1A1 P00352 2/20 0.55
CYP2C9 P11712 3/20 0.54
SCN4A P35499 1/20 0.52
LCK P06239 1/20 0.52
CYP3A4 P08684 5/20 0.51
KCNH2 Q12809 1/20 0.51
CYP1A2 P05177 3/20 0.50
CYP2D6 P10635 2/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL9722762 0.90 KIT (0.60) KITNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9722783 0.88 KIT (0.58) KITNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL11833319 0.87 KIT (0.57) KITNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL10049916 0.84 RAB9A (0.64) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL9722779 0.84 NPC1 (0.55) KITNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL212263 0.84 CYP2C9 (0.71) KITNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9722763 0.82 CYP2C9 (0.54) KITNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9722781 0.82 CYP2C9 (0.53) KITNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL73574 0.81 RAB9A (0.65) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL11634957 0.80 RAB9A (0.55) KITNPC1RAB9ASMN1; SMN2MAPT

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
WO-2019141980-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 WO disclosed
WO-2019141980-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 WO disclosed