SCHEMBL1128766

SCHEMBL1128766

Clc1cccc([CH]Br)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPP1R15A O75807 1/20 0.46
MELK Q14680 1/20 0.46
PPP1R15B Q5SWA1 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PNMT P11086 2/20 0.44
TSHR P16473 3/20 0.42
ALDH1A1 P00352 4/20 0.41
TAAR1 Q96RJ0 1/20 0.40
IDO1 P14902 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2A6 P11509 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 3/20 0.37
PTGS2 P35354 1/20 0.37
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 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
SCHEMBL3302004 0.79 PPP1R15A (0.48) PPP1R15AMELKPPP1R15BNPSR1L3MBTL1
SCHEMBL29010084 0.77 PPP1R15A (0.47) PPP1R15AMELKPPP1R15BNPSR1L3MBTL1
SCHEMBL9127344 0.75 PPP1R15A (0.46) PPP1R15AMELKPPP1R15BNPSR1L3MBTL1
SCHEMBL30587141 0.75 ALDH1A1 (0.65) PPP1R15AMELKPPP1R15BNPSR1L3MBTL1
SCHEMBL30011286 0.75 ALDH1A1 (0.54) PPP1R15AMELKPPP1R15BNPSR1L3MBTL1
SCHEMBL16951940 0.75 L3MBTL1 (0.50) PPP1R15AMELKPPP1R15BNPSR1L3MBTL1
SCHEMBL1547373 0.75 L3MBTL1 (0.46) PPP1R15AMELKPPP1R15BNPSR1L3MBTL1
SCHEMBL95211 0.75 ALDH1A1 (0.54) PPP1R15AMELKPPP1R15BNPSR1L3MBTL1
SCHEMBL40188 0.75 ALDH1A1 (0.65) PPP1R15AMELKPPP1R15BNPSR1L3MBTL1
SCHEMBL16956463 0.73 L3MBTL1 (0.44) PPP1R15AMELKPPP1R15BNPSR1L3MBTL1

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
CN-105801509-B The preparation method and purposes of a kind of chalcone derivative 中国科学院新疆理化技术研究所 2018-01-05 CN disclosed
CN-105801509-A Preparation method and application of phenylisoxazole-containing chalcone derivatives 中国科学院新疆理化技术研究所 2016-07-27 CN disclosed
EP-2283007-A2 PYRROLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC APPLICATION THEREOF Sanofi-aventis (FR) 2011-02-16 EP disclosed
WO-2009141532-A2 PYRROLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-11-26 WO disclosed