SCHEMBL22815472

SCHEMBL22815472

c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)cc3)cc2)c2ccc(C34CC5CC6CC(C3)C654)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.32
▸ PTPN7 P35236 1/20 0.31
▸ DUSP3 P51452 1/20 0.31
▸ PTPN12 Q05209 1/20 0.31
▸ PTPN22 Q9Y2R2 1/20 0.31
▸ GPR3 P46089 1/20 0.31
▸ PTGIR P43119 1/20 0.30

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
SCHEMBL22815675 0.93 ALDH1A1 (0.33) GPR3
SCHEMBL22815687 0.92 ALDH1A1 (0.31) CYP1A2
SCHEMBL22815504 0.86 CYP1A2 (0.31) CYP1A2
SCHEMBL22815671 0.83 CYP1A2 (0.32) CYP1A2GPR3
SCHEMBL24422021 0.83 LMNA (0.35) CYP1A2GPR3PTGIR
SCHEMBL22815555 0.83 LMNA (0.35) CYP1A2GPR3PTGIR
SCHEMBL22815471 0.83 ALDH1A1 (0.34) CYP1A2
SCHEMBL22815664 0.83 ALDH1A1 (0.34) CYP1A2
SCHEMBL22815310 0.83 ALDH1A1 (0.34) CYP1A2
SCHEMBL22815369 0.82 SLC6A2 (0.31) CYP1A2

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-2020253445-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 陕西莱特光电材料股份有限公司 2020-12-24 — — WO disclosed
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