SCHEMBL24154867

SCHEMBL24154867

C1=CCC2C(=C1)c1ccccc1N2c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ NR1H4 Q96RI1 12/20 0.32
▸ MET P08581 1/20 0.31

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
SCHEMBL24154745 0.91 KDM4E (0.34) AKT1KDM4EMEN1ALDH1A1TP53
SCHEMBL24154156 0.83 DHFR (0.31) —
SCHEMBL24154614 0.83 PTGER4 (0.34) —
SCHEMBL19495024 0.79 GAA (0.38) ALDH1A1
SCHEMBL24154088 0.78 PRKDC (0.33) KDM4EALDH1A1TP53CYP1A2SMN1; SMN2
SCHEMBL24154868 0.77 — —
SCHEMBL24154484 0.76 — —
SCHEMBL24104506 0.76 TSHR (0.33) HSD17B10
SCHEMBL24741819 0.70 PLA2G7 (0.31) —
SCHEMBL21003663 0.67 L3MBTL1 (0.38) KDM4EMEN1ALDH1A1TP53CYP1A2

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-2021261962-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2021-12-30 — — WO disclosed
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