SCHEMBL11748966

SCHEMBL11748966

O=C(CCCCN1CCCCC1)c1ccc2c(c1)Cc1cc(C(=O)CCCCN3CCCCC3)ccc1S2

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.67
▸ L3MBTL1 Q9Y468 1/20 0.67
▸ ALDH1A1 P00352 5/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MCHR1 Q99705 1/20 0.45
▸ GFER P55789 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL11865224 0.99 KDM4E (0.65) KDM4EL3MBTL1ALDH1A1HPGDMAOB
SCHEMBL11732688 0.96 KDM4E (0.61) KDM4EL3MBTL1ALDH1A1HPGDMAOB
Hydrochloric Acid SCHEMBL11871520 0.94 KDM4E (0.59) KDM4EL3MBTL1ALDH1A1HPGDMAOB
SCHEMBL11868967 0.90 TSHR (0.55) KDM4EL3MBTL1ALDH1A1MCHR1
SCHEMBL11870369 0.86 KDM4E (0.51) KDM4EL3MBTL1ALDH1A1MCHR1
SCHEMBL11863515 0.85 KMT2A (0.58) KDM4EL3MBTL1ALDH1A1HPGDKMT2A
SCHEMBL11680146 0.85 KDM4E (0.88) KDM4EL3MBTL1ALDH1A1HPGDMAOB
Hydrochloric Acid SCHEMBL11678795 0.84 KDM4E (0.86) KDM4EL3MBTL1ALDH1A1HPGDMAOB
SCHEMBL11677379 0.84 KDM4E (0.86) KDM4EL3MBTL1ALDH1A1HPGDMAOB
SCHEMBL11859502 0.84 ALDH1A1 (0.62) KDM4EL3MBTL1ALDH1A1MAPTKMT2A

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
US-3957988-A Antiviral compositions containing bis-basic ketones of thioxanthene RICHARDSON-MERRELL INC. (US) 1976-05-18 — — US claimed
US-4041165-A TREATING DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1977-08-09 — — US disclosed
US-3957988-A Antiviral compositions containing bis-basic ketones of thioxanthene RICHARDSON-MERRELL INC. (US) 1976-05-18 — — US disclosed
US-3937833-A DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1976-02-10 — — US disclosed
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