SCHEMBL21301285

SCHEMBL21301285

Cc1cn2cc(-c3cc4ccc(N5CC(C)NC(C)C5)cc4oc3=O)nc2c(C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 3/20 0.40
POLB P06746 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
ALK Q9UM73 1/20 0.35
TP53 P04637 5/20 0.34
MAOB P27338 3/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL15086329 1.00 NPC1 (0.42) NPC1RAB9AALDH1A1KDM4EL3MBTL1
SCHEMBL16669609 0.91 NPC1 (0.41) NPC1RAB9AALDH1A1KDM4EL3MBTL1
SCHEMBL15065774 0.91 NPC1 (0.41) NPC1RAB9AALDH1A1KDM4EL3MBTL1
SCHEMBL30708167 0.91 NPC1 (0.41) NPC1RAB9AALDH1A1KDM4EL3MBTL1
SCHEMBL15066190 0.91 NPC1 (0.41) NPC1RAB9AALDH1A1KDM4EL3MBTL1
SCHEMBL15069154 0.89 NPC1 (0.42) NPC1RAB9AALDH1A1KDM4EL3MBTL1
SCHEMBL21301224 0.89 NPC1 (0.42) NPC1RAB9AALDH1A1KDM4EL3MBTL1
SCHEMBL15086446 0.88 NPC1 (0.41) NPC1RAB9AALDH1A1KDM4EL3MBTL1
SCHEMBL15068907 0.87 NPC1 (0.45) NPC1RAB9AALDH1A1KDM4EL3MBTL1
SCHEMBL15069159 0.87 NPC1 (0.46) NPC1RAB9AALDH1A1KDM4EL3MBTL1

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
EP-2797592-B1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC (US) 2019-08-28 EP disclosed