SCHEMBL2171883

SCHEMBL2171883

COC(=O)c1[nH]cc(Br)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 3/20 0.42
GAA P10253 3/20 0.42
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
USP2 O75604 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
NR4A2 P43354 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.36
NOTUM Q6P988 2/20 0.36
CFTR P13569 1/20 0.35
POLB P06746 2/20 0.34
XDH P47989 2/20 0.34
CREBBP Q92793 1/20 0.34
LMNA P02545 1/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL1536747 0.81 ALDH1A1 (0.44) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL31210653 0.79 XDH (0.42) KDM4EALDH1A1GAANPSR1NR4A2
SCHEMBL4233048 0.79 NR4A2 (0.46) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL16883380 0.79 KDM4E (0.40) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL31211387 0.78 TPMT (0.39) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL16116224 0.78 NR4A2 (0.37) KDM4EALDH1A1GAANPSR1NR4A2
SCHEMBL4233053 0.76 NR4A2 (0.40) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL30590613 0.76 LMNA (0.37) KDM4EALDH1A1GAANPSR1NR4A2
Hydrochloric Acid SCHEMBL30028241 0.76 KDM4E (0.44) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL31156074 0.75 KDM4E (0.41) KDM4EALDH1A1GAANPSR1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3442977-A1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE Blueprint Medicines Corporation (US) 2019-02-20 EP disclosed
WO-2017181117-A1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE BLUEPRINT MEDICINES CORPORATION (US) 2017-10-19 WO disclosed
EP-2346872-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2011-07-27 EP disclosed
WO-2010042682-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-15 WO disclosed