SCHEMBL15068705

SCHEMBL15068705

O=c1oc2ccccc2cc1-c1cn2ccncc2n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.73
NPC1 O15118 7/20 0.73
ALDH1A1 P00352 7/20 0.73
MAPT P10636 6/20 0.73
PKM P14618 2/20 0.73
LMNA P02545 1/20 0.73
POLB P06746 2/20 0.67
NFKB1 P19838 1/20 0.67
NFKB2 Q00653 1/20 0.67
RELA Q04206 1/20 0.67
TP53 P04637 6/20 0.62
KDM4E B2RXH2 5/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
KMT2A Q03164 3/20 0.62
GAA P10253 2/20 0.62
HPGD P15428 2/20 0.62
HSD17B10 Q99714 2/20 0.62
MEN1 O00255 2/20 0.62
TSHR P16473 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.58

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
SCHEMBL15066680 0.81 RAB9A (0.71) RAB9ANPC1ALDH1A1MAPTPKM
SCHEMBL15068561 0.79 NPC1 (0.47) RAB9ANPC1ALDH1A1MAPTPKM
SCHEMBL15067282 0.78 NPC1 (0.46) RAB9ANPC1ALDH1A1MAPTPKM
SCHEMBL4726437 0.77 RAB9A (0.71) RAB9ANPC1ALDH1A1MAPTPKM
SCHEMBL15066061 0.77 ALDH1A1 (1.00) RAB9ANPC1ALDH1A1MAPTPKM
SCHEMBL15068657 0.77 NPC1 (0.44) RAB9ANPC1ALDH1A1MAPTPKM
SCHEMBL15068977 0.76 SUV39H2 (0.45) RAB9ANPC1ALDH1A1MAPTPKM
SCHEMBL15066084 0.75 NPC1 (0.43) RAB9ANPC1ALDH1A1MAPTPKM
SCHEMBL15066786 0.74 ALDH1A1 (0.64) RAB9ANPC1ALDH1A1MAPTPKM
SCHEMBL15068496 0.74 RAB9A (0.57) RAB9ANPC1ALDH1A1MAPTPKM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2797592-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC Therapeutics, Inc. (US) 2014-11-05 EP disclosed
WO-2013101974-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-07-04 WO disclosed