SCHEMBL28010046

SCHEMBL28010046

Cc1cc(Br)c(-c2ccc3c(c2N)C(=O)c2ccccc2C3=O)c(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.59
MAPK1 P28482 5/20 0.59
L3MBTL1 Q9Y468 4/20 0.59
NPC1 O15118 4/20 0.59
CYP3A4 P08684 4/20 0.59
RAB9A P51151 4/20 0.59
TSHR P16473 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
CASP3 P42574 2/20 0.59
SENP7 Q9BQF6 2/20 0.59
SENP6 Q9GZR1 2/20 0.59
HBB P68871 1/20 0.59
MAOA P21397 3/20 0.54
MAOB P27338 1/20 0.54
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
MAPT P10636 5/20 0.51
POLB P06746 4/20 0.51
LMNA P02545 2/20 0.51
THRB P10828 2/20 0.51

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
SCHEMBL28010045 0.87 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1NPC1CYP3A4
SCHEMBL11640489 0.80 TTR (0.58) ALDH1A1MAPK1L3MBTL1NPC1CYP3A4
SCHEMBL21086588 0.80 ELANE (0.55) ALDH1A1MAPK1L3MBTL1NPC1CYP3A4
SCHEMBL8777968 0.79 MAOA (0.67) ALDH1A1MAPK1L3MBTL1NPC1CYP3A4
SCHEMBL28913553 0.76 MAPK1 (0.65) ALDH1A1MAPK1L3MBTL1NPC1CYP3A4
SCHEMBL27560563 0.76 MAPK1 (0.74) ALDH1A1MAPK1L3MBTL1NPC1CYP3A4
SCHEMBL591041 0.75 ALDH1A1 (1.00) ALDH1A1MAPK1L3MBTL1NPC1CYP3A4
SCHEMBL29558186 0.75 ALDH1A1 (1.00) ALDH1A1MAPK1L3MBTL1NPC1CYP3A4
SCHEMBL726339 0.74 CYP1A1 (0.66) ALDH1A1MAPK1L3MBTL1NPC1CYP3A4
SCHEMBL11356479 0.74 MAOA (0.55) ALDH1A1MAPK1L3MBTL1NPC1CYP3A4

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-104530745-B Method for preparing solvent purple 38 江苏道博化工有限公司 2017-02-01 CN disclosed
CN-104530745-A Method for preparing solvent purple 38 JIANGSU DAOBO CHEMICAL CO LTD 2015-04-22 CN disclosed