SCHEMBL5459533

SCHEMBL5459533

Cc1c(NC(=S)NC(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.80
▸ MEN1 O00255 1/20 0.80
▸ MAPT P10636 2/20 0.77
▸ SMN1; SMN2 Q16637 2/20 0.72
▸ POLB P06746 1/20 0.68
▸ ALDH1A1 P00352 3/20 0.67
▸ CYP3A4 P08684 1/20 0.66
▸ GLA P06280 1/20 0.65
▸ KDM4E B2RXH2 2/20 0.63
▸ TSHR P16473 1/20 0.63

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
SCHEMBL14096460 0.93 KMT2A (0.71) KMT2AMEN1MAPTSMN1; SMN2POLB
SCHEMBL28880300 0.81 TSHR (0.81) KMT2AMEN1MAPTSMN1; SMN2POLB
SCHEMBL23009259 0.80 ALDH1A1 (1.00) KMT2AMEN1MAPTSMN1; SMN2POLB
SCHEMBL31454744 0.79 MAPT (0.83) KMT2AMEN1MAPTSMN1; SMN2POLB
SCHEMBL5050992 0.79 TSHR (0.76) KMT2AMEN1MAPTSMN1; SMN2POLB
SCHEMBL28880361 0.78 KDM4E (1.00) KMT2AMEN1MAPTSMN1; SMN2POLB
SCHEMBL30410560 0.77 TSHR (0.72) KMT2AMEN1MAPTSMN1; SMN2POLB
Nifenazone SCHEMBL25945 0.76 KMT2A (1.00) KMT2AMEN1MAPTSMN1; SMN2POLB
Nifenazone SCHEMBL29481949 0.76 KMT2A (1.00) KMT2AMEN1MAPTSMN1; SMN2POLB
Nifenazone SCHEMBL25422359 0.76 KMT2A (1.00) KMT2AMEN1MAPTSMN1; SMN2POLB

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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