SCHEMBL8236987

SCHEMBL8236987

COc1ccc(S(=O)(=O)c2cc3ccccc3cn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 3/20 0.63
▸ HTT P42858 3/20 0.63
▸ POLB P06746 2/20 0.63
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ TDP1 Q9NUW8 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ AKR1B1 P15121 1/20 0.48
▸ TUBB4A P04350 1/20 0.47
▸ TUBB P07437 1/20 0.47
▸ TUBA3C P0DPH7 1/20 0.47
▸ TUBA1B P68363 1/20 0.47
▸ TUBA4A P68366 1/20 0.47
▸ TUBB4B P68371 1/20 0.47
▸ TUBB3 Q13509 1/20 0.47
▸ TUBB2A Q13885 1/20 0.47
▸ TUBB8 Q3ZCM7 1/20 0.47
▸ TUBA3E Q6PEY2 1/20 0.47

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
SCHEMBL13940202 0.85 GAA (0.55) PKMHTTPOLBNPC1RAB9A
SCHEMBL29277557 0.84 AGTR1 (0.49) PKMHTTPOLBLMNASMN1; SMN2
SCHEMBL29277549 0.81 HTR2A (0.51) PKMHTTPOLBNPC1LMNA
SCHEMBL29277556 0.81 HTT (0.59) PKMHTTPOLBLMNASMN1; SMN2
SCHEMBL13939998 0.80 TSHR (0.47) PKMHTTPOLBNPC1RAB9A
SCHEMBL7274163 0.76 PKM (0.63) PKMHTTPOLBTDP1LMNA
SCHEMBL28270265 0.76 PKM (0.68) PKMHTTPOLBNPC1RAB9A
SCHEMBL29277552 0.73 CYP11B1 (0.47) PKMHTTRAB9ATDP1SMN1; SMN2
SCHEMBL2900381 0.73 PKM (0.83) PKMHTTPOLBSMN1; SMN2GAA
SCHEMBL30375768 0.72 PKM (0.46) PKMHTTPOLBNPC1RAB9A

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-2007103683-A2 COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION ROSKAMP RESEARCH LLC (US) 2007-09-13 — — WO disclosed
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