SCHEMBL21765666

SCHEMBL21765666

O=C(CBr)Nc1ccc2c(c1)Cc1cc(NC(=O)CBr)ccc1-2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.71
POLB P06746 1/20 0.69
NPC1 O15118 1/20 0.60
KMT2A Q03164 3/20 0.57
SLC1A3 P43003 5/20 0.56
SLC1A2 P43004 5/20 0.56
SLC1A1 P43005 5/20 0.56
CYP1A2 P05177 2/20 0.54
ADRA2A P08913 1/20 0.54
MAOA P21397 1/20 0.54
SLC6A2 P23975 1/20 0.54
HTR2C P28335 1/20 0.54
SLC6A4 P31645 1/20 0.54
HTR2B P41595 1/20 0.54
MEN1 O00255 2/20 0.50
CYP3A4 P08684 1/20 0.49
KDM4E B2RXH2 3/20 0.48
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47

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
SCHEMBL21765857 0.83 RAB9A (1.00) RAB9APOLBNPC1KMT2ASLC1A3
SCHEMBL29975245 0.81 NPC1 (0.64) RAB9APOLBNPC1KMT2ACYP1A2
SCHEMBL28366098 0.81 NPC1 (0.64) RAB9APOLBNPC1KMT2ACYP1A2
SCHEMBL27690165 0.81 BAZ2B (0.55) RAB9APOLBNPC1KDM4EMAPT
SCHEMBL2333229 0.80 ITGB3 (0.60) RAB9APOLB
SCHEMBL23518441 0.79 RAB9A (0.69) RAB9APOLBNPC1KMT2ASLC1A3
SCHEMBL7932191 0.79 SLC1A3 (0.65) RAB9APOLBNPC1KMT2ASLC1A3
SCHEMBL21834193 0.79 BAZ2B (0.68) RAB9ANPC1CYP1A2MAOACYP3A4
SCHEMBL15267699 0.77 KMT2A (0.60) RAB9APOLBNPC1KMT2AMEN1
SCHEMBL2962505 0.77 MAOA (0.84) RAB9APOLBNPC1KMT2ACYP1A2

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-2020041270-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF FOG PHARMACEUTICALS, INC. (US) 2020-02-27 WO disclosed