SCHEMBL10968004

SCHEMBL10968004

C[n+]1ccc(C=Cc2ccncc2)cc1.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.46

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 1/20 0.46
▸ CHAT P28329 3/20 0.41
▸ PTGS2 P35354 1/20 0.40
▸ RAB9A P51151 7/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ USP2 O75604 3/20 0.40
▸ GPR55 Q9Y2T6 2/20 0.40
▸ GPR35 Q9HC97 1/20 0.40
▸ NFE2L2 Q16236 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ NOD2 Q9HC29 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL372527 0.85 CHAT (0.61) TERTCHATPTGS2RAB9AKMT2A
SCHEMBL10841638 0.84 RAB9A (0.47) TERTCHATPTGS2RAB9AKMT2A
SCHEMBL11398927 0.84 CYP2A6 (0.47) TERTCHATPTGS2RAB9AKMT2A
SCHEMBL7044936 0.84 CYP2A6 (0.47) TERTCHATPTGS2RAB9AKMT2A
SCHEMBL10844389 0.84 PABPC1 (0.58) TERTPTGS2KMT2ANPC1POLB
SCHEMBL8987883 0.83 TERT (0.50) TERTPTGS2KMT2ANPC1MEN1
SCHEMBL4688796 0.83 TERT (0.43) TERTCHATPTGS2RAB9AKMT2A
SCHEMBL531126 0.81 MEN1 (0.63) TERTRAB9AKMT2ANPC1MEN1
SCHEMBL531127 0.81 MEN1 (0.63) TERTRAB9AKMT2ANPC1MEN1
SCHEMBL7047125 0.80 CYP2A6 (0.48) TERTCHATPTGS2RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0068880-B1 PHOTOGRAPHIC ELEMENTS CAPABLE OF PROVIDING OXOINDOLIZINE AND OXOINDOLIZINIUM DYE COMPOUNDS EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1985-08-07 — — EP disclosed
EP-0068876-B1 OXOINDOLIZINE AND OXOINDOLIZINIUM DYES AND PROCESSES FOR THEIR PREPARATION EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1985-04-03 — — EP disclosed
US-4368247-A Photographic materials and processes comprising oxoindolizine and oxoindolizinium compounds EASTMAN KODAK COMPANY (US) 1983-01-11 — — US disclosed
EP-0068876-A1 Oxoindolizine and oxoindolizinium dyes and processes for their preparation EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1983-01-05 — — EP disclosed
EP-0068880-A1 Photographic elements capable of providing oxoindolizine and oxoindolizinium dye compounds EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1983-01-05 — — EP disclosed
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