SCHEMBL5462203

SCHEMBL5462203

O=C(NC(=S)Nc1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 15/20 0.79
▸ ALDH1A1 P00352 12/20 0.78
▸ MEN1 O00255 4/20 0.78
▸ KMT2A Q03164 4/20 0.78
▸ HPGD P15428 2/20 0.78
▸ CYP3A4 P08684 1/20 0.78
▸ CYP2C9 P11712 1/20 0.78
▸ GAA P10253 3/20 0.77
▸ TDP1 Q9NUW8 4/20 0.72
▸ SMN1; SMN2 Q16637 3/20 0.71
▸ NPC1 O15118 1/20 0.71
▸ EPHX1 P07099 1/20 0.71
▸ RAB9A P51151 1/20 0.71
▸ LMNA P02545 3/20 0.69
▸ MAPK1 P28482 3/20 0.68
▸ KDM4E B2RXH2 2/20 0.64
▸ ALOX12 P18054 1/20 0.61

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
SCHEMBL5448244 0.84 MAPT (0.86) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL5448142 0.83 MAPT (1.00) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL5450571 0.78 MAPT (0.76) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL5455565 0.78 MAPT (0.76) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL4690699 0.78 MAPT (0.71) MAPTALDH1A1KMT2ACYP2C9TDP1
SCHEMBL4517204 0.77 MAPT (0.77) MAPTALDH1A1CYP2C9NPC1RAB9A
SCHEMBL3057932 0.76 MAPT (0.73) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL2350357 0.76 MAPT (0.77) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL85548 0.76 AKR1C3 (0.71) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL2918462 0.76 MAPT (0.69) MAPTALDH1A1MEN1KMT2AGAA

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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