SCHEMBL30586265

SCHEMBL30586265

COc1ccc(-c2ccc3ccc4ccc(-c5ccc(OC)cc5)nc4c3n2)cc1.Cl[Cu]Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.56
▸ RAB9A P51151 7/20 0.56
▸ KDM4E B2RXH2 5/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ NFKB2 Q00653 1/20 0.56
▸ RELA Q04206 1/20 0.56
▸ PARP1 P09874 2/20 0.55
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ MAPT P10636 5/20 0.45
▸ POLB P06746 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ ENPP3 O14638 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ HPGD P15428 1/20 0.42

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
SCHEMBL2347376 0.93 NPC1 (0.62) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL30398025 0.91 NPC1 (0.61) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL30289774 0.89 NPC1 (0.59) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL29086810 0.88 NPC1 (0.52) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL17174132 0.80 NPC1 (0.58) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL14329875 0.80 NPC1 (0.58) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL28994344 0.79 NPC1 (0.56) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL11369248 0.76 PARP1 (0.52) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL12112562 0.76 PARP1 (0.44) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL17955215 0.74 NPC1 (0.50) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2

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
CN-116691082-A Separable laminate and method for separating long-term structural bonds 德莎欧洲股份公司 2023-09-05 — — CN disclosed
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