SCHEMBL3407740

SCHEMBL3407740

COc1ccc(C(=O)Nc2c(=O)[nH]n3c(=O)c4ccccc4[nH]c23)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 3/20 0.49
PARP14 Q460N5 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
PKM P14618 1/20 0.47
KDR P35968 1/20 0.46
F10 P00742 1/20 0.45
STK33 Q9BYT3 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TP53 P04637 1/20 0.43
STK17B O94768 1/20 0.43
STK17A Q9UEE5 1/20 0.43
MAPK10 P53779 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL3407406 0.88 BRD4 (0.46) NPC1RAB9AMAPTPARP14SMN1; SMN2
SCHEMBL3413639 0.80 MEN1 (0.47) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL3409988 0.77 MAPT (0.53) NPC1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL6257175 0.74 KMT2A (0.69) NPC1RAB9AMAPTLMNAPARP14
SCHEMBL11399112 0.73 UBE2N (0.60) NPC1RAB9AMAPTLMNAPARP14
SCHEMBL6259345 0.72 KDR (0.61) NPC1RAB9AMAPTLMNAPARP14
SCHEMBL9728959 0.71 RAB9A (0.72) NPC1RAB9AMAPTLMNAPARP14
SCHEMBL6257352 0.70 MAPT (0.82) MAPTLMNASMN1; SMN2KMT2AMEN1
SCHEMBL3411281 0.69 EGFR (0.52) NPC1RAB9AKMT2AMEN1ADORA3
SCHEMBL148105 0.69 RAB9A (0.62) NPC1RAB9AMAPTPARP14SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2264035-A1 Glycine B antagonists Merz Pharma GmbH & Co. KGaA (DE) 2010-12-22 EP claimed
EP-2264035-A1 Glycine B antagonists Merz Pharma GmbH & Co. KGaA (DE) 2010-12-22 EP disclosed