SCHEMBL11858243

SCHEMBL11858243

CCN(CC)CCC(C)C(=O)c1ccc2c(c1)Cc1cc(C(=O)C(C)CCN(CC)CC)ccc1S2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.36
▸ POLB P06746 1/20 0.34
▸ OPRK1 P41145 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ BCHE P06276 3/20 0.33
▸ TP53 P04637 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ACHE P22303 2/20 0.32
▸ HRH3 Q9Y5N1 3/20 0.32
▸ HTR3A P46098 2/20 0.32
▸ CHRM2 P08172 2/20 0.32
▸ HTR1A P08908 2/20 0.32
▸ CHRM1 P11229 2/20 0.32
▸ ADRA2C P18825 2/20 0.32
▸ CHRM3 P20309 2/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ HTR2C P28335 2/20 0.32
▸ HRH1 P35367 2/20 0.32

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
SCHEMBL11869257 0.82 PTGS2 (0.36) LMNAOPRK1PTGS2PDE4DHRH3
SCHEMBL11732533 0.80 THRA (0.38) POLBKMT2ABCHETP53ACHE
SCHEMBL11730448 0.78 L3MBTL1 (0.43) LMNAPOLBKMT2ABCHETP53
Hydrochloric Acid SCHEMBL11734361 0.78 MAOA (0.37) LMNAPOLBKMT2ABCHETP53
SCHEMBL11866455 0.77 L3MBTL1 (0.39) KMT2ABCHETP53ADORA2AHRH3
Hydrochloric Acid SCHEMBL11862770 0.77 L3MBTL1 (0.44) LMNAPOLBKMT2ABCHETP53
SCHEMBL3008104 0.76 GAA (0.49) LMNAOPRK1KMT2APTGS2PDE4D
SCHEMBL11736839 0.76 PTGS2 (0.36) OPRK1PTGS2PDE4DSLC6A3
Hydrochloric Acid SCHEMBL11859109 0.76 L3MBTL1 (0.41) LMNAKMT2ABCHETP53ADORA2A
SCHEMBL11818226 0.76 MAPT (0.48) POLBOPRK1KMT2ATP53CHRM2

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 1 patent. 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 disclosed
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