SCHEMBL6664795

SCHEMBL6664795

O=C(O)c1sccc1-c1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.51
ALAD P13716 1/20 0.46
PRKCZ Q05513 1/20 0.42
PTPN1 P18031 2/20 0.41
DHODH Q02127 1/20 0.40
GPR35 Q9HC97 1/20 0.40
PTPN2 P17706 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
FABP3 P05413 1/20 0.39
FABP2 P12104 1/20 0.39
FABP4 P15090 1/20 0.39
FABP5 Q01469 1/20 0.39
AXL P30530 1/20 0.39
LMNA P02545 1/20 0.39
RORB Q92753 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL1670982 0.82 BCAT2 (0.72) BCAT2DHODHGPR35MEN1KMT2A
SCHEMBL27749147 0.81 BCAT2 (0.51) BCAT2ALADPTPN1MEN1NPC1
SCHEMBL1339762 0.81 BCAT2 (0.51) BCAT2DHODHGPR35MEN1NPC1
SCHEMBL1340183 0.81 BCAT2 (0.51) BCAT2PTPN1
SCHEMBL31540414 0.80 BCAT2 (0.50) BCAT2DHODHMEN1NPC1RAB9A
SCHEMBL2562025 0.79 PTGS1 (0.51) BCAT2PTPN1DHODHGPR35PTPN2
SCHEMBL982263 0.79 SMN1; SMN2 (0.54) BCAT2PTPN1MEN1NPC1RAB9A
SCHEMBL6200929 0.78 BCAT2 (0.51) BCAT2PTPN1GPR35PTPN2AXL
SCHEMBL6497992 0.77 CYP2C8 (0.48) BCAT2MEN1NPC1RAB9AKMT2A
SCHEMBL28150114 0.76 KMT2A (0.59) BCAT2KMT2ANPSR1

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
CN-119977855-A Thiohydrazone method for synthesizing compound 山东金科力电源科技有限公司 2025-05-13 CN disclosed
WO-2004014381-A2 MATRIX METALLOPROTEINASE INHIBITORS AND METHODS FOR IDENTIFICATION OF LEAD COMPOUNDS WARNER-LAMBERT COMPANY LLC. (US) 2004-02-19 WO disclosed