SCHEMBL5178713

SCHEMBL5178713

CSc1sc2ccc3ccccc3c2[n+]1C.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.37

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
▸ KDM4E B2RXH2 4/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ PKM P14618 1/20 0.37
▸ HKDC1 Q2TB90 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ABCB1 P08183 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ CTNNB1 P35222 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL5159327 0.88 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2HPGDPKM
SCHEMBL8861452 0.82 KDM4E (0.37) KDM4EALDH1A1SMN1; SMN2HPGDPKM
SCHEMBL159888 0.79 ALDH1A1 (0.53) KDM4EALDH1A1SMN1; SMN2HPGDPKM
SCHEMBL4120155 0.78 MAPT (0.48) KDM4EALDH1A1SMN1; SMN2HPGDPKM
SCHEMBL5166670 0.76 HKDC1 (0.40) KDM4EALDH1A1SMN1; SMN2HPGDPKM
SCHEMBL8390117 0.72 INSR (0.48) KDM4ESMN1; SMN2HKDC1MAPTMEN1
SCHEMBL8390120 0.72 INSR (0.48) KDM4ESMN1; SMN2HKDC1MAPTMEN1
SCHEMBL7781063 0.72 MAPT (0.41) KDM4EALDH1A1SMN1; SMN2HPGDPKM
SCHEMBL1656446 0.72 ALDH1A1 (0.38) KDM4EALDH1A1SMN1; SMN2HPGDPKM
SCHEMBL4149006 0.71 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2HKDC1MAPT

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-1662318-B1 1,3-dihydro-1-oxo-2H-indene derivative FUJIFILM CORP (JP) 2007-06-06 — — EP disclosed
EP-1035435-B1 Photosensitive composition and 1,3-dihydro-1-oxo-2H-indene derivative FUJI PHOTO FILM CO LTD (JP) 2006-08-09 — — EP disclosed
EP-1662318-A1 1,3-dihydro-1-oxo-2H-indene derivative FUJI PHOTO FILM CO., LTD. (JP) 2006-05-31 — — EP disclosed
US-6322950-B1 Photosensitive composition and 1,3-dihydro-1-oxo-2H-indene derivative FUJI PHOTO FILM CO., LTD. (JP) 2001-11-27 — — US disclosed
EP-1035435-A2 Photosensitive composition and 1,3-dihydro-1-oxo-2H-indene derivative FUJI PHOTO FILM CO., LTD. (JP) 2000-09-13 — — EP disclosed
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