SCHEMBL6558320

SCHEMBL6558320

O=Cc1nc(-c2nccs2)cs1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SPHK2 Q9NRA0 1/20 0.46
▸ SPHK1 Q9NYA1 1/20 0.46
▸ CYP1A1 P04798 12/20 0.43
▸ CYP1A2 P05177 12/20 0.43
▸ CYP1B1 Q16678 12/20 0.43
▸ NPY5R Q15761 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.42
▸ RAB9A P51151 1/20 0.40
▸ CFTR P13569 1/20 0.37
▸ PDPK1 O15530 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ RET P07949 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ SYK P43405 1/20 0.35

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
SCHEMBL31374411 0.73 HSP90AA1 (0.56) SPHK2SPHK1CYP1A1CYP1A2CYP1B1
SCHEMBL11614665 0.73 SPHK2 (0.51) SPHK2SPHK1CYP1A1CYP1A2CYP1B1
SCHEMBL13093801 0.72 SPHK2 (0.58) SPHK2SPHK1CYP1A1CYP1A2CYP1B1
SCHEMBL6558546 0.71 SPHK2 (0.46) SPHK2SPHK1CYP1A1CYP1A2CYP1B1
SCHEMBL28811 0.69 — —
SCHEMBL4534663 0.69 RAB9A (0.49) CYP1A1CYP1A2CYP1B1HSP90AA1RAB9A
SCHEMBL9195334 0.68 SPHK2 (0.50) SPHK2SPHK1CYP1A1CYP1A2CYP1B1
SCHEMBL6558073 0.68 SPHK2 (0.46) SPHK2SPHK1CYP1A1CYP1A2CYP1B1
SCHEMBL506408 0.68 — —
Hydrochloric Acid SCHEMBL4776707 0.68 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100762-B1 ERYTHROMYCIN DERIVATIVES WITH ANTIBIOTIC ACTIVITY ZAMBON SPA (IT) 2004-03-10 — — EP disclosed
US-6468979-B1 ERYTHROMYCIN DERIVATIVES WITH BIHETEROCYCLIC GROUP AS SUBSTITUENT AT END OF CHAIN HAVE PARTICULARLY BROAD SPECTRUM OF ACTIVITY AND LONG DURATION OF ACTION ZAMBON GROUP S.P.A. (IT) 2002-10-22 — — US disclosed
EP-1100762-A2 ERYTHROMYCIN DERIVATIVES WITH ANTIBIOTIC ACTIVITY ZAMBON GROUP S.p.A. (IT) 2001-05-23 — — EP disclosed
WO-2000006606-A2 ERYTHROMYCIN DERIVATIVES WITH ANTIBIOTIC ACTIVITY ZAMBON GROUP S.P.A. (IT) 2000-02-10 — — WO disclosed
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