SCHEMBL6532204

SCHEMBL6532204

CC(c1ccccc1)n1c(=O)c(N)cc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
BRD4 O60885 3/20 0.41
AR P10275 1/20 0.38
DAO P14920 1/20 0.37
DCTPP1 Q9H773 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CASP1 P29466 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL1082979 0.85 BRD4 (0.39) BRD4KDM4EALDH1A1
SCHEMBL1082814 0.82 DAO (0.37) KMT2ADAOCASP1HSD17B10MAPT
SCHEMBL3802743 0.81 DAO (0.42) MEN1KMT2ADAOMAPT
SCHEMBL6287877 0.81 HTR4 (0.41) KMT2ADAOKDM4ECASP1
SCHEMBL1082600 0.80 BRD4 (0.44) MEN1KMT2ABRD4LMNANPSR1
SCHEMBL3807621 0.80 DAO (0.38) KMT2ABRD4DAOCASP1HSD17B10
SCHEMBL1082511 0.79 DAO (0.37) MEN1KMT2ADAOKDM4ECASP1
SCHEMBL1082159 0.78 DAO (0.36) KMT2ADAOKDM4ECASP1HSD17B10
SCHEMBL1081504 0.75 SIGMAR1 (0.39) DAOKDM4EALDH1A1
SCHEMBL1082822 0.74 SIGMAR1 (0.41) MEN1KMT2ADAOKDM4ENPSR1

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-1560827-A1 ANTI-INFECTIVE AGENTS Abbott Laboratories (US) 2005-08-10 EP disclosed
WO-2004041818-A1 ANTI-INFECTIVE AGENTS ABBOTT LABORATORIES (US) 2004-05-21 WO disclosed