SCHEMBL10801585

SCHEMBL10801585

CC(C)(N)c1ccc2c(c1)[S+]([O-])c1ccccc1C2

nearest known ligand 0.30

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HTR2A P28223 1/20 0.30

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
SCHEMBL10802490 0.84 — —
SCHEMBL10801889 0.81 NPC1 (0.30) NPC1ALDH1A1RAB9A
SCHEMBL7719782 0.78 ALDH1A1 (0.34) NPC1ALDH1A1HPGDRAB9A
SCHEMBL10476775 0.76 MAOA (0.39) KDM4ENPC1ALDH1A1LMNAMAPT
SCHEMBL9160477 0.76 MAOA (0.39) KDM4ENPC1ALDH1A1LMNAMAPT
SCHEMBL36333 0.76 MAOA (0.39) KDM4ENPC1ALDH1A1LMNAMAPT
SCHEMBL1037618 0.76 ALDH1A1 (0.34) KDM4ENPC1ALDH1A1LMNAMAPT
SCHEMBL6860759 0.75 ALDH1A1 (0.37) ALDH1A1HTR2A
Hydrochloric Acid SCHEMBL585839 0.74 MAOA (0.37) KDM4ENPC1ALDH1A1LMNAMAPT
Ammonia Solution, Strong SCHEMBL1871983 0.74 MAOA (0.37) KDM4ENPC1ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0110831-B1 THIOXANTHONES SUBSTITUTED BY ALPHA-AMINOALKYL GROUPS CIBA-GEIGY AG (CH) 1987-03-04 — — EP claimed
US-4564578-A PHOTOSENSITIVE EPOXY RESINS CIBA-GEIGY CORPORATION (US) 1986-01-14 — — US claimed
EP-0110831-A1 Thioxanthones substituted by alpha-aminoalkyl groups CIBA-GEIGY AG (CH) 1984-06-13 — — EP claimed
EP-0110831-B1 THIOXANTHONES SUBSTITUTED BY ALPHA-AMINOALKYL GROUPS CIBA-GEIGY AG (CH) 1987-03-04 — — EP disclosed
US-4564578-A PHOTOSENSITIVE EPOXY RESINS CIBA-GEIGY CORPORATION (US) 1986-01-14 — — US disclosed
EP-0110831-A1 Thioxanthones substituted by alpha-aminoalkyl groups CIBA-GEIGY AG (CH) 1984-06-13 — — EP disclosed
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