SCHEMBL29973702

SCHEMBL29973702

CCN(CC)CCCNC(=O)c1cccc(Nc2cccc(NC(=O)c3cccc(OC)c3)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
KCNK3 O14649 2/20 0.57
KCNK9 Q9NPC2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
TP53 P04637 2/20 0.56
TSHR P16473 1/20 0.56
SIGMAR1 Q99720 1/20 0.54
BCHE P06276 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
MAPT P10636 2/20 0.53
GAA P10253 1/20 0.53
HTT P42858 2/20 0.51
POLB P06746 1/20 0.51
PKM P14618 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
MAPK14 Q16539 1/20 0.50

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
SCHEMBL1499306 1.00 NPC1 (0.57) NPC1RAB9AKCNK3KCNK9ALDH1A1
SCHEMBL1499350 0.95 KMT2A (0.60) NPC1RAB9AKCNK3KCNK9ALDH1A1
SCHEMBL12766934 0.93 BCHE (0.63) NPC1RAB9AKCNK3KCNK9ALDH1A1
SCHEMBL1499499 0.90 KMT2A (0.66) NPC1RAB9AKCNK3KCNK9ALDH1A1
SCHEMBL1499644 0.90 MEN1 (0.52) NPC1RAB9AKCNK3KCNK9ALDH1A1
SCHEMBL12767130 0.88 BCHE (0.59) NPC1RAB9AKCNK3KCNK9ALDH1A1
SCHEMBL1525896 0.85 MEN1 (0.60) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL1499416 0.83 KCNK3 (0.54) KCNK3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1499490 0.83 KMT2A (0.58) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL16963599 0.82 TDP1 (0.51) MEN1KMT2ASMN1; SMN2BCHEMAPT

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-3536691-B1 CHEMICAL MOLECULES THAT INHIBIT THE SPLICING MECHANISM FOR TREATING DISEASES RESULTING FROM SPLICING ANOMALIES CENTRE NAT RECH SCIENT (FR) 2022-10-05 EP disclosed