SCHEMBL25652019

SCHEMBL25652019

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc(N6c7ccccc7NC6c6ccccc6)cc5)c4)c3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.40
▸ RAB9A P51151 1/20 0.35
▸ ALDH1A1 P00352 6/20 0.33
▸ HPGD P15428 5/20 0.33
▸ ABCB1 P08183 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ GP6 Q9HCN6 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CASP1 P29466 1/20 0.33

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
SCHEMBL19369615 0.95 RAB9A (0.40) KDM4ERAB9AALDH1A1HPGDABCB1
SCHEMBL19369620 0.89 RAB9A (0.44) KDM4ERAB9AALDH1A1HPGDABCB1
SCHEMBL17899161 0.86 KDM4E (0.34) KDM4ERAB9A
SCHEMBL25921227 0.86 ALDH1A1 (0.37) KDM4ERAB9AALDH1A1HPGDMEN1
SCHEMBL19369611 0.86 RAB9A (0.39) KDM4ERAB9AALDH1A1HPGDABCB1
SCHEMBL21388996 0.85 RAB9A (0.37) KDM4ERAB9AALDH1A1HPGDABCB1
SCHEMBL25946801 0.85 ALDH1A1 (0.39) KDM4ERAB9AALDH1A1HPGDMEN1
SCHEMBL25921216 0.85 ALDH1A1 (0.38) KDM4ERAB9AALDH1A1HPGDMEN1
SCHEMBL25946799 0.85 ALDH1A1 (0.38) KDM4ERAB9AALDH1A1HPGDMEN1
SCHEMBL21399039 0.85 RAB9A (0.36) KDM4ERAB9AALDH1A1HPGDABCB1

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-2023113561-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-06-22 — — WO disclosed
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