SCHEMBL7467992

SCHEMBL7467992

O=C1Nc2ccccc2Sc2ccsc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.64
▸ GAA P10253 8/20 0.53
▸ MAPT P10636 7/20 0.53
▸ NOX1 Q9Y5S8 6/20 0.53
▸ MEN1 O00255 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ ALOX15 P16050 3/20 0.53
▸ SNCA P37840 3/20 0.53
▸ BCHE P06276 2/20 0.53
▸ ACHE P22303 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ ADORA3 P0DMS8 1/20 0.53
▸ ALOX12 P18054 1/20 0.53
▸ MAOA P21397 1/20 0.53
▸ CNR1 P21554 1/20 0.53
▸ PTGS1 P23219 1/20 0.53
▸ SLC6A2 P23975 1/20 0.53

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
SCHEMBL8988 0.78 L3MBTL1 (1.00) L3MBTL1GAAMAPTNOX1MEN1
SCHEMBL8211987 0.74 HTT (0.49) L3MBTL1GAAMAPTNOX1MEN1
SCHEMBL11536027 0.74 CHEK1 (0.58) L3MBTL1MEN1KMT2ACYP1A2MAOA
SCHEMBL12462878 0.74 L3MBTL1 (0.66) L3MBTL1GAAMAPTNOX1MEN1
SCHEMBL12463182 0.74 L3MBTL1 (0.66) L3MBTL1GAAMAPTNOX1MEN1
SCHEMBL7422398 0.72 L3MBTL1 (0.69) L3MBTL1GAAMAPTNOX1MEN1
Phenothiazine SCHEMBL2504207 0.72 NOX1 (1.00) L3MBTL1GAAMAPTNOX1MEN1
Phenothiazine SCHEMBL9114 0.72 NOX1 (1.00) L3MBTL1GAAMAPTNOX1MEN1
Phenothiazine SCHEMBL29349533 0.72 NOX1 (1.00) L3MBTL1GAAMAPTNOX1MEN1
Phenothiazine SCHEMBL6315328 0.72 NOX1 (1.00) L3MBTL1GAAMAPTNOX1MEN1

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
WO-2000073313-A1 NEW TRICYCLIC AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2000-12-07 — — WO disclosed
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