SCHEMBL29620544

SCHEMBL29620544

Clc1ccc(-c2cc(-c3ccc(-c4cccnc4)cc3)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.57
CTRC Q99895 1/20 0.54
DHODH Q02127 1/20 0.51
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HPGD P15428 3/20 0.50
MAPT P10636 2/20 0.50
NTSR1 P30989 1/20 0.50
CYP17A1 P05093 1/20 0.49
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
PSD A5PKW4 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAOB P27338 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
SCHEMBL21689664 1.00 CYP19A1 (0.57) CYP19A1CTRCDHODHALDH1A1MEN1
SCHEMBL29620543 1.00 CYP19A1 (0.57) CYP19A1CTRCDHODHALDH1A1MEN1
SCHEMBL24527291 0.92 CYP19A1 (0.66) CYP19A1DHODHALDH1A1MEN1KMT2A
SCHEMBL17945297 0.92 CYP19A1 (0.66) CYP19A1DHODHALDH1A1MEN1KMT2A
SCHEMBL19638034 0.92 CYP19A1 (0.66) CYP19A1DHODHALDH1A1MEN1KMT2A
SCHEMBL23248728 0.91 MKNK1 (0.53) CYP19A1ALDH1A1MEN1KMT2AHPGD
SCHEMBL22038043 0.90 CYP19A1 (0.53) CYP19A1CTRCDHODHALDH1A1MEN1
SCHEMBL22075532 0.90 KDR (0.53) CYP19A1DHODHALDH1A1MEN1KMT2A
SCHEMBL28674039 0.89 CYP19A1 (0.67) CYP19A1DHODHALDH1A1MEN1KMT2A
SCHEMBL21623613 0.89 CYP19A1 (0.71) CYP19A1DHODHALDH1A1MEN1KMT2A

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
CN-114555566-A Organic compound and organic electroluminescent element comprising same 索路思高新材料有限公司 2022-05-27 CN disclosed