SCHEMBL25460732

SCHEMBL25460732

c1ccc(-c2ccc(-c3cc(-c4ccccc4-c4cccc(-c5cccnc5)c4-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)nc(-c4ccccc4)n3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.47
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
NTSR1 P30989 1/20 0.44
DHODH Q02127 1/20 0.44
KDM4E B2RXH2 4/20 0.43
GLA P06280 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 6/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 5/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK10 P53779 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MKNK1 Q9BUB5 2/20 0.40
MKNK2 Q9HBH9 2/20 0.40

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
SCHEMBL25460585 0.97 CYP19A1 (0.46) CYP19A1MEN1KMT2ANTSR1DHODH
SCHEMBL25463438 0.94 CYP19A1 (0.46) CYP19A1MEN1KMT2ANTSR1DHODH
SCHEMBL25461920 0.93 CYP19A1 (0.45) CYP19A1MEN1KMT2ANTSR1DHODH
SCHEMBL25460596 0.91 CYP19A1 (0.44) CYP19A1MEN1KMT2ANTSR1DHODH
SCHEMBL25461116 0.91 KDM4E (0.46) CYP19A1MEN1KMT2ANTSR1DHODH
SCHEMBL25460872 0.86 KMO (0.43) CYP19A1MEN1KMT2AKDM4EGLA
SCHEMBL25460468 0.86 CYP11B1 (0.43) CYP19A1MEN1KMT2AKDM4EGLA
SCHEMBL17394811 0.84 CYP19A1 (0.49) CYP19A1MEN1KMT2ANTSR1KDM4E
SCHEMBL17013868 0.84 CYP11B1 (0.46) CYP19A1MEN1KMT2ANTSR1DHODH
SCHEMBL25460891 0.84 CYP19A1 (0.43) CYP19A1MEN1KMT2AKDM4EGLA

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