SCHEMBL4971304

SCHEMBL4971304

O=C(C=Cc1ccccc1)NC(=S)Nc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 0.81
POLB P06746 3/20 0.81
MEN1 O00255 8/20 0.77
RAB9A P51151 5/20 0.77
LMNA P02545 2/20 0.77
BLM P54132 1/20 0.77
TDP1 Q9NUW8 1/20 0.77
L3MBTL1 Q9Y468 1/20 0.77
EGFR P00533 1/20 0.70
MMP1 P03956 1/20 0.70
MMP2 P08253 1/20 0.70
MMP9 P14780 1/20 0.70
MAOA P21397 1/20 0.70
MAOB P27338 1/20 0.70
NPC1 O15118 2/20 0.69
ALDH1A1 P00352 4/20 0.67
MAPT P10636 2/20 0.67
HTT P42858 1/20 0.64
DUSP3 P51452 1/20 0.63
PTPN5 P54829 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
SCHEMBL4971301 1.00 KMT2A (0.81) KMT2APOLBMEN1RAB9ALMNA
SCHEMBL5446943 0.91 KMT2A (0.74) KMT2APOLBMEN1RAB9ALMNA
SCHEMBL5446938 0.91 KMT2A (0.74) KMT2APOLBMEN1RAB9ALMNA
SCHEMBL7814630 0.90 RAB9A (0.81) KMT2APOLBMEN1RAB9ALMNA
SCHEMBL7814633 0.90 RAB9A (0.81) KMT2APOLBMEN1RAB9ALMNA
SCHEMBL14096628 0.86 MAPT (0.78) KMT2APOLBMEN1RAB9ALMNA
SCHEMBL14096620 0.86 EGFR (0.74) KMT2APOLBMEN1RAB9ALMNA
SCHEMBL5455527 0.84 EGFR (0.79) KMT2APOLBMEN1RAB9ALMNA
SCHEMBL5455524 0.84 EGFR (0.79) KMT2APOLBMEN1RAB9ALMNA
SCHEMBL10937450 0.83 KMT2A (0.62) KMT2APOLBMEN1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332550-B2 Stabilization of transition metal complexes for catalysis in diverse environments CARNEGIE MELLON UNIVERSITY (US) 2008-02-19 US disclosed
WO-2004096872-A1 STABILIZATION OF TRANSITION METAL COMPLEXES FOR CATALYSIS IN DIVERSE ENVIRONMENTS CARNEGIE MELLON UNIVERSITY (US) 2004-11-11 WO disclosed
US-20040122189-A1 Stabilization of transition metal complexes for catalysis in diverse environments CARNEGIE MELLON UNIVERSITY 2004-06-24 US disclosed