SCHEMBL30189802

SCHEMBL30189802

Cc1ccc2sc(Cl)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
MAPT P10636 2/20 0.51
TP53 P04637 1/20 0.51
DYRK1A Q13627 1/20 0.50
NPSR1 Q6W5P4 2/20 0.47
KMT2A Q03164 2/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
IDO1 P14902 1/20 0.43
RAB9A P51151 3/20 0.43
PTPN7 P35236 1/20 0.43
PTPN12 Q05209 1/20 0.43
PTPN22 Q9Y2R2 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
NQO2 P16083 1/20 0.41
CYP1A2 P05177 1/20 0.41
NPC1 O15118 2/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL799569 1.00 SMN1; SMN2 (0.51) SMN1; SMN2MAPTTP53DYRK1ANPSR1
SCHEMBL780451 0.84 RAB9A (0.61) SMN1; SMN2MAPTTP53DYRK1AKMT2A
SCHEMBL2170235 0.82 SMN1; SMN2 (0.54) SMN1; SMN2MAPTTP53DYRK1ANPSR1
SCHEMBL780242 0.81 SMN1; SMN2 (0.61) SMN1; SMN2MAPTNPSR1KMT2ALOXL2
SCHEMBL92781 0.79 SMN1; SMN2 (0.61) SMN1; SMN2MAPTTP53DYRK1ANPSR1
SCHEMBL9305718 0.78 SMN1; SMN2 (0.53) SMN1; SMN2MAPTTP53DYRK1ARAB9A
Bromide SCHEMBL10996884 0.78 SMN1; SMN2 (0.59) SMN1; SMN2MAPTTP53DYRK1ANPSR1
SCHEMBL11549599 0.76 DYRK1A (0.54) SMN1; SMN2MAPTTP53DYRK1ARAB9A
SCHEMBL2749398 0.76 SMN1; SMN2 (0.51) SMN1; SMN2MAPTTP53DYRK1ARAB9A
SCHEMBL12262 0.76 MAPT (0.72) SMN1; SMN2MAPTTP53DYRK1ARAB9A

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
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed