SCHEMBL16418005

SCHEMBL16418005

Cc1ccc(Cn2ncc3cc(C)c(Br)cc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.45
HTT P42858 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RECQL P46063 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PKM P14618 2/20 0.39
PKLR P30613 1/20 0.39
KMO O15229 1/20 0.38
NPC1 O15118 2/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38
NPBWR1 P48145 1/20 0.37
MCHR1 Q99705 1/20 0.37
NAMPT P43490 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL16418009 0.94 BRD4 (0.45) BRD4HTTALDH1A1SMN1; SMN2RECQL
SCHEMBL9917426 0.90 POLB (0.41) BRD4HTTALDH1A1SMN1; SMN2RECQL
SCHEMBL16418007 0.88 BRD4 (0.48) BRD4HTTALDH1A1SMN1; SMN2RECQL
SCHEMBL9917433 0.84 KCNH2 (0.42) BRD4HTTALDH1A1SMN1; SMN2RECQL
SCHEMBL9917344 0.78 KCNH2 (0.49) BRD4HTTALDH1A1SMN1; SMN2RECQL
SCHEMBL16418006 0.75 BRD4 (0.43) BRD4HTTALDH1A1SMN1; SMN2RECQL
SCHEMBL5530473 0.74 RECQL (0.75) BRD4HTTALDH1A1SMN1; SMN2RECQL
SCHEMBL29459664 0.74 RECQL (0.75) BRD4HTTALDH1A1SMN1; SMN2RECQL
SCHEMBL9917345 0.74 KMO (0.52) BRD4HTTALDH1A1SMN1; SMN2RECQL
SCHEMBL9917337 0.74 TP53 (0.51) BRD4HTTALDH1A1SMN1; SMN2RECQL

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
US-9149463-B2 Methods and compositions of treating a Flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANDFORD JUNIOR UNIVERSITY (US) 2015-10-06 US disclosed
US-8940730-B2 Methods and compositions of treating a Flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-01-27 US disclosed