SCHEMBL8616591

SCHEMBL8616591

O=C(Nc1ccc(Br)c(Cl)c1)C(Cl)Nc1ccc(-c2ccncc2)c(Cl)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
KMT2A Q03164 9/20 0.39
LMNA P02545 8/20 0.39
MEN1 O00255 8/20 0.39
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
HPGD P15428 4/20 0.39
ALOX15 P16050 2/20 0.39
ALOX12 P18054 2/20 0.39
BLM P54132 3/20 0.38
WRN Q14191 2/20 0.38
ALDH1A1 P00352 5/20 0.38
POLB P06746 2/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
DNMT1 P26358 1/20 0.38
DUSP3 P51452 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 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
SCHEMBL8616595 0.73 LMNA (0.46) MAPTKMT2ALMNAMEN1HTT
SCHEMBL27783025 0.71 MAPT (0.65) MAPTKMT2ALMNAMEN1HTT
SCHEMBL8118567 0.70 MEN1 (0.50) MAPTKMT2ALMNAMEN1HTT
SCHEMBL8118565 0.69 JAK2 (0.44) MAPTKMT2ALMNAMEN1HTT
SCHEMBL6998722 0.66 ADORA2B (0.43) MAPTKMT2AMEN1NPC1POLB
SCHEMBL8115604 0.65 ALDH1A1 (0.51) MAPTKMT2ALMNAMEN1HTT
SCHEMBL8616587 0.65 HDAC2 (0.39) KDM4EAAK1
SCHEMBL8589404 0.63 GSTO1 (0.50) MAPTKMT2ALMNAMEN1HTT
SCHEMBL13949529 0.63 MEN1 (0.66) MAPTKMT2ALMNAMEN1HTT
SCHEMBL16685574 0.62 KMT2A (0.70) MAPTKMT2ALMNAMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998050346-A2 ACETAMIDE AND UREA DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO disclosed