SCHEMBL25924530

SCHEMBL25924530

c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4nc5c6ccccc6oc5c5c6ccccc6n(-c6ccccc6)c45)cc3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.40
▸ TSHR P16473 5/20 0.40
▸ ALDH1A1 P00352 9/20 0.39
▸ LMNA P02545 5/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ USP2 O75604 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ POLB P06746 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.37
▸ KMT2A Q03164 7/20 0.37
▸ MEN1 O00255 6/20 0.37
▸ GAA P10253 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ALOX12 P18054 1/20 0.35

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
SCHEMBL25924528 0.94 MAPT (0.43) MAPTTSHRALDH1A1LMNAHSD17B10
SCHEMBL25932398 0.93 MAPT (0.42) MAPTTSHRALDH1A1LMNAHSD17B10
SCHEMBL25924967 0.92 MAPT (0.40) MAPTTSHRALDH1A1LMNAHSD17B10
SCHEMBL25924970 0.91 MAPT (0.39) MAPTTSHRALDH1A1LMNAHSD17B10
SCHEMBL25924529 0.88 MAPT (0.37) MAPTTSHRALDH1A1LMNAHSD17B10
SCHEMBL25924531 0.87 CA12 (0.36) MAPTTSHRALDH1A1LMNAHSD17B10
SCHEMBL25924107 0.86 SMN1; SMN2 (0.39) MAPTALDH1A1LMNAHSD17B10KDM4E
SCHEMBL25924113 0.86 SMN1; SMN2 (0.39) MAPTALDH1A1LMNAHSD17B10KDM4E
SCHEMBL25925877 0.85 CA9 (0.37) MAPTTSHRLMNAHSD17B10KDM4E
SCHEMBL16275756 0.85 ALDH1A1 (0.37) MAPTTSHRALDH1A1LMNAHSD17B10

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-2023138254-A1 HETEROCYCLIC COMPOUND, AND ORGANIC ELECTROLUMINESCENT MATERIAL AND ELEMENT 上海八亿时空先进材料有限公司 2023-07-27 — — WO disclosed
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