SCHEMBL5448244

SCHEMBL5448244

O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.86
▸ KDM4E B2RXH2 1/20 0.86
▸ ALDH1A1 P00352 8/20 0.80
▸ MEN1 O00255 7/20 0.80
▸ KMT2A Q03164 7/20 0.80
▸ CA1 P00915 2/20 0.80
▸ CA2 P00918 2/20 0.80
▸ CA9 Q16790 1/20 0.80
▸ LMNA P02545 1/20 0.71
▸ CYP3A4 P08684 1/20 0.70
▸ CYP2C9 P11712 1/20 0.70
▸ HPGD P15428 1/20 0.70
▸ P2RX5 Q93086 1/20 0.69
▸ P2RX4 Q99571 1/20 0.69
▸ P2RX7 Q99572 1/20 0.69
▸ P2RX2 Q9UBL9 1/20 0.69
▸ SMN1; SMN2 Q16637 3/20 0.67
▸ NPC1 O15118 2/20 0.64
▸ RAB9A P51151 2/20 0.64
▸ STAT1 P42224 1/20 0.64

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
SCHEMBL5450571 0.93 MAPT (0.76) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL5455565 0.93 MAPT (0.76) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL2350357 0.91 MAPT (0.77) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL3057932 0.91 MAPT (0.73) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL13454573 0.89 CA1 (0.78) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL16587382 0.89 MAPT (0.75) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL18606684 0.89 CA1 (1.00) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL5453548 0.87 MAPT (0.67) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL5462203 0.84 MAPT (0.79) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL17066681 0.84 GPR55 (0.76) MAPTKDM4EALDH1A1MEN1KMT2A

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
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 — — US disclosed
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