SCHEMBL25461920

SCHEMBL25461920

c1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)cc(-c3ccccc3-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3-c3cccnc3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.45
ALDH1A1 P00352 6/20 0.43
MAPT P10636 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HPGD P15428 4/20 0.43
DHODH Q02127 1/20 0.42
KDM4E B2RXH2 4/20 0.41
LMNA P02545 3/20 0.41
GLA P06280 2/20 0.41
NTSR1 P30989 1/20 0.40
CYP17A1 P05093 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
GAA P10253 1/20 0.39
MKNK1 Q9BUB5 2/20 0.38
MKNK2 Q9HBH9 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 2/20 0.38

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
SCHEMBL25463438 0.99 CYP19A1 (0.46) CYP19A1ALDH1A1MAPTMEN1KMT2A
SCHEMBL25460596 0.96 CYP19A1 (0.44) CYP19A1ALDH1A1MAPTMEN1KMT2A
SCHEMBL25460732 0.93 CYP19A1 (0.47) CYP19A1ALDH1A1MAPTMEN1KMT2A
SCHEMBL25460585 0.90 CYP19A1 (0.46) CYP19A1ALDH1A1MAPTMEN1KMT2A
SCHEMBL25460891 0.89 CYP19A1 (0.43) CYP19A1ALDH1A1MAPTMEN1KMT2A
SCHEMBL25462298 0.86 CYP2A6 (0.40) CYP19A1ALDH1A1MAPTHPGDDHODH
SCHEMBL25460090 0.86 SMN1; SMN2 (0.46) CYP19A1ALDH1A1MAPTMEN1KMT2A
SCHEMBL25460740 0.85 CYP19A1 (0.46) CYP19A1ALDH1A1MAPTMEN1KMT2A
SCHEMBL19175685 0.85 DHODH (0.41) CYP19A1ALDH1A1MAPTMEN1KMT2A
SCHEMBL25460599 0.84 CYP19A1 (0.56) CYP19A1ALDH1A1MAPTMEN1KMT2A

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
WO-2023085637-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-05-19 WO disclosed