SCHEMBL27942151

SCHEMBL27942151

O=C(NCc1ccc(Br)cc1)Nc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.71
RAB9A P51151 6/20 0.71
KMT2A Q03164 4/20 0.71
MEN1 O00255 3/20 0.71
MAOB P27338 2/20 0.71
POLB P06746 1/20 0.71
TP53 P04637 1/20 0.71
HPGD P15428 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
HTT P42858 1/20 0.67
MAOA P21397 1/20 0.66
CA1 P00915 2/20 0.64
CA2 P00918 2/20 0.64
RORC P51449 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
PTPN1 P18031 1/20 0.58
MAPT P10636 1/20 0.57
CA12 O43570 1/20 0.56
CA9 Q16790 1/20 0.56
ROCK2 O75116 1/20 0.56

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
SCHEMBL27942206 0.93 KMT2A (0.69) NPC1RAB9AKMT2AMEN1MAOB
SCHEMBL2831462 0.88 NPC1 (0.77) NPC1RAB9AKMT2AMEN1MAOB
SCHEMBL14025738 0.85 NPC1 (0.73) NPC1RAB9AKMT2AMEN1MAOB
SCHEMBL17000091 0.85 NPC1 (0.73) NPC1RAB9AKMT2AMEN1MAOB
SCHEMBL1933248 0.84 RAB9A (0.61) NPC1RAB9AKMT2AMEN1MAOB
SCHEMBL20379448 0.84 HTT (0.68) NPC1KMT2AMEN1HTTROCK2
SCHEMBL13720058 0.83 NPC1 (1.00) NPC1RAB9AKMT2AMEN1MAOB
SCHEMBL7420189 0.83 RAB9A (1.00) NPC1RAB9AKMT2AMEN1MAOB
SCHEMBL27953145 0.83 RAB9A (0.72) NPC1RAB9AKMT2AMEN1MAOB
SCHEMBL6203861 0.83 SENP1 (0.64) NPC1RAB9AKMT2AMEN1MAOB

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-112574070-B Synthesis method of substituted urea compound 西华大学 2022-11-08 CN disclosed
CN-112574070-A Synthesis method of substituted urea compound 西华大学 2021-03-30 CN disclosed
CN-103664704-B A kind of synthetic N, the method for N '-disubstituted urea NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-05-18 CN disclosed
CN-103664704-A Method for synthesizing N,N'-disubstituent urea UNIV NANJING SCIENCE & TECH 2014-03-26 CN disclosed