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Sugi Predict / Compounds / SCHEMBL4053880

SCHEMBL4053880

SCHEMBL4053880

CC(C)(C)[C@H](NC(=O)c1nn(CCCCC(N)=O)c2ccccc12)C(=O)NCC(N)=O

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 10/20 0.67
▸ CNR2 P34972 7/20 0.67
▸ HTR3A P46098 2/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ CFD P00746 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ PARP1 P09874 1/20 0.38

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
SCHEMBL13690586 0.93 CNR1 (0.67) CNR1CNR2HTR3AKDM4ECFD
SCHEMBL4053834 0.91 CNR1 (0.62) CNR1CNR2HTR3AHDAC1HDAC6
SCHEMBL4059339 0.91 CNR1 (0.62) CNR1CNR2HTR3AHDAC1HDAC6
SCHEMBL4048713 0.91 CNR1 (0.62) CNR1CNR2HTR3AKDM4ECFD
SCHEMBL4054253 0.91 CNR1 (0.65) CNR1CNR2HTR3AHDAC1HDAC6
SCHEMBL13691006 0.91 CNR1 (0.65) CNR1CNR2HTR3AHDAC1HDAC6
SCHEMBL4050224 0.90 CNR1 (0.64) CNR1CNR2HTR3AKDM4ECFD
SCHEMBL13690663 0.90 CNR1 (0.64) CNR1CNR2HTR3AKDM4ECFD
SCHEMBL13691279 0.89 CNR1 (0.83) CNR1CNR2HTR3AHDAC1HDAC6
SCHEMBL13691003 0.86 CNR1 (0.64) CNR1CNR2HTR3AHDAC1HDAC6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 — — WO claimed
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 — — WO disclosed