SCHEMBL21557580

SCHEMBL21557580

O=C(O)C1=Cc2cc(-c3ccccn3)ccc2CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.43
CCR5 P51681 9/20 0.41
KDM4E B2RXH2 2/20 0.41
KDM6B O15054 1/20 0.41
KDM4A O75164 1/20 0.41
KDM5C P41229 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM2A Q9Y2K7 1/20 0.41
KDM3A Q9Y4C1 1/20 0.41
PIN1 Q13526 1/20 0.39
ABL1 P00519 2/20 0.38
PDK2 Q15119 1/20 0.38
KAT6A Q92794 1/20 0.38
BCR P11274 1/20 0.38
CREBBP Q92793 1/20 0.37

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
SCHEMBL21557582 0.85 AXL (0.46) CCR5ABL1BCRCREBBP
SCHEMBL1237447 0.73 TLR8 (0.48) DHODHKDM4EKDM6BKDM4AKDM5C
SCHEMBL29427899 0.71 MAOA (0.49) KDM4E
SCHEMBL30641504 0.71 PDK2 (0.39) DHODHCCR5KDM4EABL1PDK2
SCHEMBL28676877 0.71 PIK3CD (0.43) CCR5KDM4EPDK2
SCHEMBL5713849 0.71 PDK2 (0.42) CCR5KDM4EPDK2CREBBP
SCHEMBL21599109 0.69 DHODH (0.60) DHODHCCR5KDM4EKDM6BKDM4A
SCHEMBL28830424 0.69 KDM4E (0.64) DHODHCCR5KDM4EKDM6BKDM4A
SCHEMBL207017 0.69 KDM4E (0.69) DHODHKDM4EKDM6BKDM4AKDM5C
SCHEMBL28404844 0.69 KDM4E (0.64) DHODHCCR5KDM4EKDM6BKDM4A

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
EP-3566749-A1 THIAZOLE DERIVATIVE AND APPLICATIONS THEREOF Medshine Discovery Inc. (CN) 2019-11-13 EP disclosed