SCHEMBL4726835

SCHEMBL4726835

Clc1ccc(OCc2cn3ccccc3n2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.75
▸ RAB9A P51151 7/20 0.75
▸ KDM4E B2RXH2 6/20 0.75
▸ SMN1; SMN2 Q16637 5/20 0.75
▸ ALDH1A1 P00352 3/20 0.70
▸ LMNA P02545 2/20 0.70
▸ MAPT P10636 3/20 0.60
▸ PDE10A Q9Y233 1/20 0.55
▸ GRM5 P41594 1/20 0.53
▸ HTR1A P08908 1/20 0.53
▸ DRD2 P14416 1/20 0.53
▸ DRD4 P21917 1/20 0.53
▸ ADRA1D P25100 1/20 0.53
▸ ADRA1A P35348 1/20 0.53
▸ ADRA1B P35368 1/20 0.53
▸ DRD3 P35462 1/20 0.53
▸ TDP1 Q9NUW8 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ MAPK1 P28482 2/20 0.49
▸ PKM P14618 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
SCHEMBL17694678 0.88 KDM4E (0.78) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL11427962 0.84 KDM4E (0.72) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL1695688 0.82 KDM4E (0.66) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL1695687 0.82 KDM4E (0.66) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL23488101 0.81 KDM4E (1.00) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3476282 0.81 KDM4E (0.67) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL23488102 0.80 KDM4E (0.80) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL1423790 0.79 KDM4E (0.65) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL12797332 0.79 NPC1 (0.71) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL1695828 0.79 KDM4E (0.58) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1

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
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