SCHEMBL6852433

SCHEMBL6852433

OC/C(F)=C/c1ccc(-n2cnnc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.41
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MITF O75030 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL6852438 1.00 QPCT (0.41) QPCTCYP1A2CYP2C9KMT2AKDM4E
SCHEMBL6852443 1.00 QPCT (0.41) QPCTCYP1A2CYP2C9KMT2AKDM4E
SCHEMBL6850622 0.81 MAPT (0.53) CYP1A2CYP2C9KMT2AKDM4EMEN1
SCHEMBL6870710 0.81 MAPT (0.53) CYP1A2CYP2C9KMT2AKDM4EMEN1
SCHEMBL6850615 0.81 MAPT (0.53) CYP1A2CYP2C9KMT2AKDM4EMEN1
SCHEMBL6877238 0.74 KDM4E (0.57) CYP1A2CYP2C9KMT2AKDM4EMEN1
SCHEMBL6847715 0.74 NOTUM (0.51)
SCHEMBL6877239 0.74 KDM4E (0.57) CYP1A2CYP2C9KMT2AKDM4EMEN1
SCHEMBL6847717 0.74 NOTUM (0.51)
SCHEMBL6877242 0.74 KDM4E (0.57) CYP1A2CYP2C9KMT2AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
EP-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 EP disclosed
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 WO disclosed