SCHEMBL4727262

SCHEMBL4727262

COc1ccc(-c2cn3ccc(C)cc3n2)cc1F

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.73
RAB9A P51151 12/20 0.73
KDM4E B2RXH2 10/20 0.73
SMN1; SMN2 Q16637 10/20 0.73
ALDH1A1 P00352 9/20 0.73
MAPT P10636 6/20 0.73
LMNA P02545 1/20 0.73
PKM P14618 4/20 0.66
TP53 P04637 4/20 0.62
NFKB1 P19838 3/20 0.61
NFKB2 Q00653 3/20 0.61
RELA Q04206 3/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
HPGD P15428 6/20 0.58
GAA P10253 2/20 0.58
GLA P06280 1/20 0.58
KMT2A Q03164 2/20 0.57
POLB P06746 1/20 0.57
GFER P55789 1/20 0.57
HRH3 Q9Y5N1 1/20 0.57

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
SCHEMBL6390132 0.88 RAB9A (0.71) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL19174232 0.85 SMN1; SMN2 (0.70) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4725053 0.84 RAB9A (1.00) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL16212126 0.84 NPC1 (0.61) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4728826 0.83 RAB9A (0.76) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL13325910 0.80 SMN1; SMN2 (0.93) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL6544442 0.80 NPC1 (1.00) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4727102 0.79 SMN1; SMN2 (0.79) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6545323 0.79 NPC1 (0.97) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
Bromide SCHEMBL5313495 0.78 HRH3 (0.72) 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