SCHEMBL9096152

SCHEMBL9096152

O=S(=O)(c1ccccc1)n1ccc2cc(-c3ncc[s+]3[O-])ccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 13/20 0.62
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MET P08581 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HDAC3 O15379 2/20 0.43
▸ HDAC4 P56524 2/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC7 Q8WUI4 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ HDAC10 Q969S8 2/20 0.43
▸ HDAC11 Q96DB2 2/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43

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
SCHEMBL724590 0.78 HTR6 (0.71) HTR6L3MBTL1POLBMEN1HTT
SCHEMBL725818 0.74 HTR6 (0.65) HTR6L3MBTL1POLBMEN1HTT
SCHEMBL9095357 0.74 HTR6 (0.65) HTR6L3MBTL1POLBMEN1HTT
SCHEMBL29743955 0.73 HTR6 (0.84) HTR6L3MBTL1POLBMEN1HTT
SCHEMBL29564964 0.73 HTR6 (0.65) HTR6L3MBTL1POLBMEN1HTT
SCHEMBL28745820 0.73 HTR6 (0.65) HTR6L3MBTL1POLBMEN1HTT
SCHEMBL10819458 0.73 HTR6 (0.58) HTR6L3MBTL1POLBMEN1HTT
SCHEMBL428128 0.72 HTR6 (0.68) HTR6L3MBTL1POLBMEN1HTT
SCHEMBL4941443 0.71 HTR6 (0.80) HTR6L3MBTL1POLBMEN1HTT
SCHEMBL8277567 0.71 HTR6 (0.67) HTR6L3MBTL1POLBMEN1HTT

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
EP-0571471-B1 5-HETEROYL INDOLE DERIVATIVES PFIZER (US) 1996-03-06 — — EP disclosed
US-5409941-A 5-heteroyl indole derivatives PFIZER INC. (US) 1995-04-25 — — US disclosed
WO-1992013856-A1 5-HETEROYL INDOLE DERIVATIVES PFIZER INC. (US) 1992-08-20 — — WO disclosed
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