SCHEMBL28751291

SCHEMBL28751291

O/C=C\C(F)c1cc(-c2ccccn2)cs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PI4KA P42356 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ PI4KB Q9UBF8 1/20 0.35
▸ LMNA P02545 3/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CCR1 P32246 1/20 0.34
▸ CCR5 P51681 1/20 0.34
▸ CCR8 P51685 1/20 0.34
▸ METAP1 P53582 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ DOHH Q9BU89 1/20 0.34
▸ P4HTM Q9NXG6 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
SCHEMBL27612907 0.83 — —
SCHEMBL27594326 0.83 CYP3A4 (0.35) GRM5
SCHEMBL27594351 0.79 LMNA (0.34) LMNAMAPTERN1
SCHEMBL27594327 0.76 KDM4E (0.51) RAB9AKDM4EALDH1A1MAPK1LMNA
SCHEMBL27612886 0.76 DYRK1A (0.51) ALDH1A1CYP1A2CYP2A6CYP19A1ERN1
SCHEMBL27612839 0.76 KDM4E (0.40) RAB9AKDM4EALDH1A1MAPK1LMNA
SCHEMBL27594463 0.76 OPRD1 (0.40) RAB9AKDM4EPIK3CDPIK3CAPI4KA
SCHEMBL27612815 0.71 ERN1 (0.31) ERN1
SCHEMBL27612912 0.69 KDM4E (0.36) RAB9AKDM4EALDH1A1MAPK1PIK3CD
SCHEMBL27612864 0.69 KDM4E (0.40) RAB9AKDM4EALDH1A1MAPK1LMNA

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
CN-1585775-A 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials ORTHO MCNEIL PHARM INC (US) 2005-02-23 — — CN disclosed
Send feedback