SCHEMBL9854558

SCHEMBL9854558

COc1cc(Oc2ccccc2)c2c(=S)c3ccccc3oc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 6/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ MAOB P27338 2/20 0.45
▸ NPC1 O15118 5/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ ADORA3 P0DMS8 2/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ TUBB4A P04350 1/20 0.41
▸ TUBB P07437 1/20 0.41
▸ TUBA3C P0DPH7 1/20 0.41
▸ TUBA1B P68363 1/20 0.41
▸ TUBA4A P68366 1/20 0.41
▸ TUBB4B P68371 1/20 0.41
▸ TUBB3 Q13509 1/20 0.41
▸ TUBB2A Q13885 1/20 0.41

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
SCHEMBL9854547 0.83 AHR (0.43) MAOAL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL5170454 0.82 NPC1 (0.44) MAOAL3MBTL1MAOBNPC1RAB9A
SCHEMBL10669828 0.81 MAOA (0.55) MAOAL3MBTL1MAOBNPC1RAB9A
SCHEMBL7333754 0.72 MAOA (1.00) MAOANPC1RAB9AADORA3ALDH1A1
SCHEMBL4393859 0.71 MAOA (0.67) MAOAL3MBTL1MAOBNPC1RAB9A
Dibenzofuran SCHEMBL27521528 0.71 CA4 (0.61) MAOAL3MBTL1MAOBNPC1RAB9A
SCHEMBL24566597 0.71 GAA (0.50) MAOAL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL29684492 0.71 AHR (0.47) MAOAL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL24566937 0.71 MEN1 (0.46) MAOAL3MBTL1MAOBNPC1RAB9A
SCHEMBL10431846 0.70 MAOA (0.78) MAOAL3MBTL1MAOBNPC1RAB9A

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
EP-0430881-A2 Photochromic compounds, process for their preparation and their use CIBA-GEIGY AG (CH) 1991-06-05 — — EP disclosed
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