SCHEMBL25460740

SCHEMBL25460740

c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-c4ccc(-c5cccnc5)cc4-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)n3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.46
MEN1 O00255 5/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
HPGD P15428 4/20 0.43
DHODH Q02127 1/20 0.43
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 3/20 0.43
CYP17A1 P05093 1/20 0.43
KDM4E B2RXH2 4/20 0.42
GLA P06280 2/20 0.42
LMNA P02545 2/20 0.42
PDK2 Q15119 1/20 0.41
NTSR1 P30989 1/20 0.40
KMO O15229 1/20 0.40
GAA P10253 1/20 0.39
MKNK1 Q9BUB5 3/20 0.39
MKNK2 Q9HBH9 3/20 0.39
TP53 P04637 2/20 0.39

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
SCHEMBL25461925 0.99 MEN1 (0.44) CYP19A1MEN1KMT2AALDH1A1MAPT
SCHEMBL25460597 0.99 MEN1 (0.44) CYP19A1MEN1KMT2AALDH1A1MAPT
SCHEMBL25460895 0.95 CYP11B1 (0.47) CYP19A1MEN1ALDH1A1MAPTHPGD
SCHEMBL25461124 0.93 CYP11B2 (0.54) CYP19A1MEN1KMT2AALDH1A1MAPT
SCHEMBL25460734 0.92 CYP19A1 (0.45) CYP19A1MEN1KMT2AALDH1A1MAPT
SCHEMBL27294382 0.91 CYP11B1 (0.48) CYP19A1MEN1ALDH1A1MAPTCYP11B1
SCHEMBL25460887 0.89 ALDH1A1 (0.45) CYP19A1ALDH1A1MAPTHPGDCYP11B1
SCHEMBL25461027 0.88 CYP11B2 (0.59) CYP19A1CYP11B1CYP11B2CYP17A1PDK2
SCHEMBL25461557 0.88 CYP17A1 (0.43) CYP19A1MEN1KMT2AALDH1A1MAPT
SCHEMBL25460592 0.88 ALDH1A1 (0.48) CYP19A1MEN1KMT2AALDH1A1MAPT

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