SCHEMBL7400036

SCHEMBL7400036

NC(=O)n1c(Br)nc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.49
RAB9A P51151 7/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 1/20 0.45
PKM P14618 2/20 0.44
LMNA P02545 2/20 0.44
NOD1 Q9Y239 2/20 0.44
POLB P06746 1/20 0.44
ASAH1 Q13510 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
IDO1 P14902 1/20 0.41
TNF P01375 1/20 0.40
NOD2 Q9HC29 1/20 0.40

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
SCHEMBL116004 0.80 NPC1 (0.68) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL28561602 0.79 NPC1 (0.49) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL7394357 0.79 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL29145079 0.78 L3MBTL1 (0.64) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL843331 0.77 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL6890976 0.76 KDM4E (0.56) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL8362182 0.75 L3MBTL1 (0.68) SMN1; SMN2KMT2AMEN1ALDH1A1PKM
SCHEMBL25168045 0.74 L3MBTL1 (0.46) KMT2AMEN1KDM4EALDH1A1PKM
SCHEMBL9267030 0.73 RAB9A (0.49) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL16341726 0.72 MEN1 (0.45) NPC1RAB9ASMN1; SMN2KMT2AMEN1

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
WO-2001042224-A1 CARBOXYAMIDO DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2001-06-14 WO disclosed