SCHEMBL4728812

SCHEMBL4728812

Cc1cccn2cc(CSc3ccccc3N)nc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 1.00
RAB9A P51151 8/20 1.00
SMN1; SMN2 Q16637 7/20 1.00
MAPT P10636 4/20 1.00
MAPK1 P28482 2/20 0.64
TP53 P04637 2/20 0.64
SIRT5 Q9NXA8 1/20 0.64
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C19 P33261 1/20 0.60
PDE10A Q9Y233 2/20 0.58
ALDH1A1 P00352 4/20 0.53
LMNA P02545 1/20 0.53
KDM4E B2RXH2 5/20 0.48
POLB P06746 1/20 0.48
HSD17B10 Q99714 3/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL17265005 0.79 RAB9A (0.64) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL7112860 0.75 RAB9A (0.60) NPC1RAB9ASMN1; SMN2MAPTMAPK1
Hydrochloric Acid SCHEMBL29899398 0.74 RAB9A (0.58) NPC1RAB9ASMN1; SMN2MAPTMAPK1
Hydrochloric Acid SCHEMBL29899408 0.74 RAB9A (0.58) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL9570481 0.74 RAB9A (0.61) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL103116 0.74 RAB9A (0.61) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL260197 0.73 PDE10A (1.00) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL14736747 0.73 NPC1 (0.57) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL15361824 0.72 PDE10A (0.66) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL259357 0.72 PDE10A (0.68) NPC1RAB9ASMN1; SMN2MAPTMAPK1

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-2008029152-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2008-03-13 WO disclosed