SCHEMBL5452784

SCHEMBL5452784

C=CCNC(=S)NCc1cccc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.63
MEN1 O00255 3/20 0.63
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
POLB P06746 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 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
SCHEMBL13779437 0.81 ALOX12 (0.54) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL28539729 0.79 MAPT (0.68) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL13779436 0.78 MTNR1A (0.51) KMT2AMEN1MAPTCHRNB2CHRNA4
SCHEMBL8590547 0.78 MC5R (0.53) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL3065751 0.78 KMT2A (1.00) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL9400355 0.78 KMT2A (0.59) KMT2AMEN1ALDH1A1MAPTPOLB
Hydrochloric Acid SCHEMBL5928598 0.76 MC5R (0.51) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL5524250 0.74 MTNR1A (0.57) KMT2AMEN1MAPTCHRNB2CHRNA4
SCHEMBL20825026 0.74 CA2 (0.50) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL647494 0.74 MEN1 (0.57) KMT2AMEN1ALDH1A1MAPTPOLB

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