SCHEMBL15230883

SCHEMBL15230883

O=c1oc2nc(N3CCCNCC3)ccc2cc1-c1cn2ccccc2n1.O=c1oc2nc(N3CCNCC3)ccc2cc1-c1cn2ccsc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
ALDH1A1 P00352 7/20 0.46
MAPT P10636 6/20 0.46
PKM P14618 2/20 0.46
LMNA P02545 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.37
POLB P06746 3/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SUV39H2 Q9H5I1 2/20 0.35
TLR9 Q9NR96 3/20 0.34
TLR7 Q9NYK1 2/20 0.34
KDM4E B2RXH2 5/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
TP53 P04637 4/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL15230345 0.93 CYP19A1 (0.37) NPC1RAB9AALDH1A1MAPTPKM
Hydrochloric Acid SCHEMBL15230492 0.92 CYP19A1 (0.36) NPC1RAB9AALDH1A1MAPTPKM
SCHEMBL16782210 0.92 ALDH1A1 (0.54) NPC1RAB9AALDH1A1MAPTPKM
Hydrochloric Acid SCHEMBL15230411 0.91 ALDH1A1 (0.53) NPC1RAB9AALDH1A1MAPTPKM
Hypochlorous Acid SCHEMBL21486125 0.90 CYP19A1 (0.37) NPC1RAB9AALDH1A1MAPTPKM
Hypochlorous Acid SCHEMBL21486014 0.89 ALDH1A1 (0.52) NPC1RAB9AALDH1A1MAPTPKM
SCHEMBL16782218 0.89 CYP19A1 (0.39) NPC1RAB9AALDH1A1MAPTPKM
Hydrochloric Acid SCHEMBL15228343 0.88 CYP19A1 (0.39) NPC1RAB9AALDH1A1MAPTPKM
SCHEMBL15230288 0.88 ALDH1A1 (0.58) NPC1RAB9AALDH1A1MAPTPKM
Hydrochloric Acid SCHEMBL15230367 0.88 ALDH1A1 (0.57) NPC1RAB9AALDH1A1MAPTPKM

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-2819519-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC Therapeutics, Inc. (US) 2015-01-07 EP claimed
WO-2013130689-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-09-06 WO claimed