SCHEMBL28599669

SCHEMBL28599669

O=C(Nc1ccc2cc(Br)ccc2c1Br)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
DHODH Q02127 2/20 0.54
HDAC2 Q92769 1/20 0.49
AKR1C4 P17516 1/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
AKR1C1 Q04828 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TP53 P04637 1/20 0.49
NPC1 O15118 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
HIF1A Q16665 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL28599674 0.85 NPC1 (0.66) MAPTDHODHHDAC2MEN1KMT2A
SCHEMBL29512009 0.80 MAPT (0.50) MAPTDHODHHDAC2AKR1C4AKR1C3
SCHEMBL11638366 0.79 ALDH1A1 (0.53) MAPTDHODHMEN1KMT2ANPC1
SCHEMBL28613064 0.79 HDAC2 (0.57) MAPTDHODHHDAC2MEN1KMT2A
SCHEMBL7861893 0.79 MAPT (0.69) MAPTHDAC2AKR1C4AKR1C3AKR1C2
SCHEMBL24252964 0.76 MAPT (0.66) MAPTHDAC2MEN1KMT2ATP53
SCHEMBL29434785 0.76 DHODH (0.72) MAPTDHODHHDAC2AKR1C4AKR1C3
SCHEMBL15789123 0.76 DHODH (0.72) MAPTDHODHHDAC2AKR1C4AKR1C3
SCHEMBL9513479 0.76 MAPT (0.80) MAPTDHODHAKR1C4AKR1C3AKR1C2
SCHEMBL2898181 0.76 GAA (0.70) MAPTMEN1KMT2ATP53NPC1

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-113200873-B Ortho-position halogenated arylamine compound and synthesis method thereof 山东硅科新材料有限公司 2023-02-03 CN disclosed
CN-113200873-A Ortho-position halogenated arylamine compound and synthesis method thereof 山东硅科新材料有限公司 2021-08-03 CN disclosed