SCHEMBL11450301

SCHEMBL11450301

O=C1Nc2ccccc2SC(c2ccccc2)=C1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ MAPT P10636 10/20 0.46
▸ GAA P10253 9/20 0.46
▸ MEN1 O00255 6/20 0.46
▸ KMT2A Q03164 6/20 0.46
▸ NOX1 Q9Y5S8 5/20 0.46
▸ ALOX15 P16050 2/20 0.46
▸ BCHE P06276 2/20 0.46
▸ ACHE P22303 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ PTGS2 P35354 1/20 0.46

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
Water SCHEMBL11809179 0.98 L3MBTL1 (0.50) L3MBTL1MAPTGAAMEN1KMT2A
SCHEMBL11807577 0.82 L3MBTL1 (0.53) L3MBTL1MAPTGAAMEN1KMT2A
SCHEMBL9428983 0.81 L3MBTL1 (0.51) L3MBTL1MAPTGAAMEN1KMT2A
SCHEMBL12462878 0.79 L3MBTL1 (0.66) L3MBTL1MAPTGAAMEN1KMT2A
SCHEMBL12463182 0.79 L3MBTL1 (0.66) L3MBTL1MAPTGAAMEN1KMT2A
Phenothiazine SCHEMBL28713817 0.70 NOX1 (0.81) L3MBTL1MAPTGAAMEN1KMT2A
SCHEMBL8988 0.68 L3MBTL1 (1.00) L3MBTL1MAPTGAAMEN1KMT2A
SCHEMBL2423882 0.68 L3MBTL1 (0.61) L3MBTL1MAPTGAAMEN1KMT2A
SCHEMBL9171801 0.68 MAPT (0.54) L3MBTL1MAPTGAAMEN1KMT2A
SCHEMBL9429121 0.68 GAA (0.50) L3MBTL1MAPTGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3948889-A CHEMICAL INTERMEDIATES E. R. SQUIBB & SONS, INC. (US) 1976-04-06 — — US claimed
US-4232027-A ANTIINFLAMMATORY AGENTS E. R. SQUIBB & SONS, INC. (US) 1980-11-04 — — US disclosed
US-3948889-A CHEMICAL INTERMEDIATES E. R. SQUIBB & SONS, INC. (US) 1976-04-06 — — US disclosed
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