SCHEMBL25460596

SCHEMBL25460596

c1ccc(-c2cc(-c3ccccc3-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3-c3cccnc3)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.44
ALDH1A1 P00352 7/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
MAPT P10636 5/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 4/20 0.41
LMNA P02545 4/20 0.41
GLA P06280 3/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NTSR1 P30989 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 2/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 2/20 0.38
RAB9A P51151 1/20 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 0.98 CYP19A1 (0.46) CYP19A1ALDH1A1MEN1KMT2AMAPT
SCHEMBL25461920 0.96 CYP19A1 (0.45) CYP19A1ALDH1A1MEN1KMT2AMAPT
SCHEMBL25460585 0.94 CYP19A1 (0.46) CYP19A1ALDH1A1MEN1KMT2AMAPT
SCHEMBL25460732 0.91 CYP19A1 (0.47) CYP19A1ALDH1A1MEN1KMT2AMAPT
SCHEMBL25460090 0.89 SMN1; SMN2 (0.46) CYP19A1ALDH1A1MEN1KMT2AMAPT
SCHEMBL25461116 0.87 KDM4E (0.46) CYP19A1ALDH1A1MEN1KMT2AMAPT
SCHEMBL25460891 0.87 CYP19A1 (0.43) CYP19A1ALDH1A1MEN1KMT2AMAPT
SCHEMBL17394811 0.85 CYP19A1 (0.49) CYP19A1ALDH1A1MEN1KMT2AMAPT
SCHEMBL25460468 0.84 CYP11B1 (0.43) CYP19A1ALDH1A1MEN1KMT2AMAPT
SCHEMBL25461014 0.83 ALDH1A1 (0.48) CYP19A1ALDH1A1MEN1KMT2AMAPT

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