SCHEMBL11750568

SCHEMBL11750568

O=C(CCCCCl)c1ccc2c(c1)Cc1cc(C(=O)CCCCCl)ccc1S2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CTNNB1 P35222 1/20 0.37
▸ WNT3A P56704 1/20 0.37
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HSD17B3 P37058 6/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC8 Q9BY41 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
SCHEMBL11819107 0.95 L3MBTL1 (0.38) L3MBTL1KDM4ECTNNB1WNT3ANPC1
SCHEMBL11730430 0.89 CTNNB1 (0.36) L3MBTL1KDM4ECTNNB1WNT3ANPC1
SCHEMBL11813095 0.84 GSK3B (0.44) KDM4ECTNNB1WNT3ANPC1RAB9A
SCHEMBL11678805 0.83 L3MBTL1 (0.54) L3MBTL1KDM4ECTNNB1WNT3ANPC1
Hydrochloric Acid SCHEMBL11865927 0.82 MAPK1 (0.41) L3MBTL1KDM4ECTNNB1WNT3ANPC1
SCHEMBL11862026 0.81 CYP1A2 (0.46) L3MBTL1KDM4ELMNAMAPT
SCHEMBL11827023 0.81 CTNNB1 (0.36) L3MBTL1KDM4ECTNNB1WNT3ANPC1
Hydrochloric Acid SCHEMBL11862809 0.80 MEN1 (0.46) L3MBTL1KDM4ELMNAMAPT
SCHEMBL1040880 0.80 PDE4D (0.39) L3MBTL1KDM4ELMNAMAPTTDP1
SCHEMBL11866455 0.79 L3MBTL1 (0.39) L3MBTL1KDM4EMAPTHSD17B3

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-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
US-3937835-A DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1976-02-10 — — US disclosed
Send feedback