SCHEMBL4726593

SCHEMBL4726593

CC(=O)Nc1ccc2nc(-c3ccc4ccccc4c3)cn2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.74
RAB9A P51151 10/20 0.74
NPC1 O15118 9/20 0.74
KDM4E B2RXH2 8/20 0.74
SMN1; SMN2 Q16637 8/20 0.74
HPGD P15428 7/20 0.74
POLB P06746 2/20 0.74
NFKB1 P19838 1/20 0.74
NFKB2 Q00653 1/20 0.74
RELA Q04206 1/20 0.74
OGT O15294 1/20 0.60
UTRN P46939 1/20 0.53
MAPT P10636 4/20 0.52
TP53 P04637 3/20 0.52
CYP1A2 P05177 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47

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
SCHEMBL4727599 0.82 ALDH1A1 (0.67) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL2127866 0.81 NPC1 (0.76) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL4725022 0.81 NPC1 (0.76) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL2139226 0.81 ALDH1A1 (0.58) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL2127935 0.79 RAB9A (0.69) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL1691846 0.78 NPC1 (0.68) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL29479625 0.78 KDM4E (0.67) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL28695262 0.78 KDM4E (0.67) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL1494782 0.78 KDM4E (0.75) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL27921746 0.77 NPC1 (0.76) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2

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