SCHEMBL6853988

SCHEMBL6853988

OCC(F)=Cc1cc(-c2ccccn2)cs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 3/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
METAP1 P53582 1/20 0.35
BLM P54132 1/20 0.35
HIF1A Q16665 1/20 0.35
DOHH Q9BU89 1/20 0.35
P4HTM Q9NXG6 1/20 0.35
NPC1 O15118 4/20 0.35
KDR P35968 1/20 0.35
HPGD P15428 1/20 0.34
CASP3 P42574 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6853982 1.00 RAB9A (0.36) RAB9AKDM4EALDH1A1MAPK1LMNA
SCHEMBL6853977 1.00 RAB9A (0.36) RAB9AKDM4EALDH1A1MAPK1LMNA
SCHEMBL6852714 0.84 RAB9A (0.39) RAB9AKDM4EALDH1A1MAPK1LMNA
SCHEMBL6852722 0.84 RAB9A (0.39) RAB9AKDM4EALDH1A1MAPK1LMNA
SCHEMBL6852503 0.82 CYP19A1 (0.30) CYP19A1
SCHEMBL6852495 0.82 CYP19A1 (0.30) CYP19A1
SCHEMBL6852508 0.82 CYP19A1 (0.30) CYP19A1
SCHEMBL6852806 0.81 PIM2 (0.33) KDM4EALDH1A1CYP1A2CYP19A1GRM1
SCHEMBL6852801 0.81 PIM2 (0.33) KDM4EALDH1A1CYP1A2CYP19A1GRM1
SCHEMBL6852807 0.81 PIM2 (0.33) KDM4EALDH1A1CYP1A2CYP19A1GRM1

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