SCHEMBL16587382

SCHEMBL16587382

COc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.75
▸ KDM4E B2RXH2 1/20 0.75
▸ KMT2A Q03164 8/20 0.70
▸ ALDH1A1 P00352 8/20 0.70
▸ MEN1 O00255 7/20 0.70
▸ SMN1; SMN2 Q16637 2/20 0.69
▸ CA1 P00915 2/20 0.67
▸ CA2 P00918 2/20 0.67
▸ CA9 Q16790 2/20 0.67
▸ LMNA P02545 2/20 0.63
▸ ALOX5 P09917 1/20 0.60
▸ CYP3A4 P08684 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ P2RX5 Q93086 1/20 0.58
▸ P2RX4 Q99571 1/20 0.58
▸ P2RX7 Q99572 1/20 0.58
▸ P2RX2 Q9UBL9 1/20 0.58

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
SCHEMBL13454747 0.90 KMT2A (0.65) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL5448244 0.89 MAPT (0.86) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL16587385 0.88 ALDH1A1 (0.78) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL2633343 0.87 ALOX5 (0.77) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL2061754 0.87 ALOX5 (0.77) MAPTKDM4EKMT2AALDH1A1MEN1
Hydrochloric Acid SCHEMBL9423776 0.85 ALOX5 (0.75) MAPTKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL2350357 0.84 MAPT (0.77) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL5450571 0.83 MAPT (0.76) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL5445748 0.83 NPC1 (0.73) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL2633338 0.83 MEN1 (0.66) MAPTKMT2AALDH1A1MEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371473-B2 Accelerators for two step adhesive systems Henkel IP & Holding GmbH (DE) 2016-06-21 — — US disclosed
US-9371473-B2 Accelerators for two step adhesive systems Henkel IP & Holding GmbH (DE) 2016-06-21 — — US disclosed
US-9365750-B2 Accelerators for curable compositions Henkel IP & Holding GmbH (DE) 2016-06-14 — — US disclosed
US-9365750-B2 Accelerators for curable compositions Henkel IP & Holding GmbH (DE) 2016-06-14 — — US disclosed
US-8986847-B2 Accelerator/oxidant/proton source combinations for two part curable compositions Henkel IP & Holding GmbH (DE) 2015-03-24 — — US disclosed
US-8986847-B2 Accelerator/oxidant/proton source combinations for two part curable compositions Henkel IP & Holding GmbH (DE) 2015-03-24 — — US disclosed
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