SCHEMBL22485072

SCHEMBL22485072

O=Cc1cc(C(=O)Nc2ccc(NCCNc3ccccc3)nc2)cc(F)c1O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 7/20 0.45
▸ KCNQ2 O43526 7/20 0.45
▸ HDAC1 Q13547 1/20 0.43
▸ KMT2A Q03164 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ KCNE1 P15382 2/20 0.42
▸ KCNQ1 P51787 2/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ CXCR1 P25024 2/20 0.41
▸ CXCR2 P25025 2/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40

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
SCHEMBL22466044 0.81 ERN1 (0.50) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL29381898 0.81 ERN1 (0.50) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL22466009 0.76 KCNQ3 (0.57) KCNQ3KCNQ2KMT2ARAB9AKDM4E
SCHEMBL29377313 0.76 KCNQ3 (0.57) KCNQ3KCNQ2KMT2ARAB9AKDM4E
SCHEMBL22485146 0.76 TOP1 (0.43) KCNQ3KCNQ2
SCHEMBL29374853 0.75 KCNQ3 (0.53) KCNQ3KCNQ2RAB9AKDM4EKCNE1
SCHEMBL22465951 0.75 KCNQ3 (0.53) KCNQ3KCNQ2RAB9AKDM4EKCNE1
SCHEMBL29377348 0.73 KCNQ3 (0.71) KCNQ3KCNQ2RAB9AKDM4EKCNE1
SCHEMBL22465872 0.73 KCNQ3 (0.71) KCNQ3KCNQ2RAB9AKDM4EKCNE1
SCHEMBL22482284 0.73 KCNQ3 (0.70) KCNQ3KCNQ2RAB9AKDM4ENPC1

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-2020198368-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. (US) 2020-10-01 — — WO disclosed
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