SCHEMBL28601600

SCHEMBL28601600

Brc1ccc(-c2ccc(-c3ccccc3)n2-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
MAPK1 P28482 2/20 0.56
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
RXFP1 Q9HBX9 2/20 0.49
POLB P06746 2/20 0.44
PTGS2 P35354 2/20 0.44
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 4/20 0.42
KDM4E B2RXH2 1/20 0.42
XBP1 P17861 1/20 0.42
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL11953125 0.98 ALDH1A1 (0.52) ALDH1A1MAPK1MEN1KMT2ARXFP1
SCHEMBL5012603 0.94 ALDH1A1 (0.52) ALDH1A1MAPK1MEN1KMT2ARXFP1
SCHEMBL6288437 0.87 MEN1 (0.59) ALDH1A1MAPK1MEN1KMT2ARXFP1
SCHEMBL11310071 0.87 MAPT (0.52) ALDH1A1MAPK1MEN1KMT2ARXFP1
SCHEMBL6287503 0.83 MAPT (0.54) ALDH1A1MEN1KMT2ARXFP1PTGS2
SCHEMBL14478867 0.81 ALDH1A1 (0.64) ALDH1A1MAPK1MEN1KMT2APTGS2
SCHEMBL22991702 0.79 MEN1 (0.52) ALDH1A1MEN1KMT2APOLBHPGD
SCHEMBL12103668 0.78 ALDH1A1 (0.52) ALDH1A1MAPK1MEN1KMT2APOLB
SCHEMBL5012531 0.78 ALDH1A1 (0.52) ALDH1A1MAPK1MEN1KMT2APOLB
SCHEMBL5134545 0.78 MEN1 (0.61) ALDH1A1MEN1KMT2ARXFP1POLB

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-111194315-B Aromatic amine compound, cover material, and light-emitting element 东丽先端材料研究开发(中国)有限公司 2023-07-14 CN disclosed
CN-112920177-A Aromatic monoamine compound, cover material, and light-emitting element 东丽先端材料研究开发(中国)有限公司 2021-06-08 CN disclosed