SCHEMBL6930252

SCHEMBL6930252

CC(=O)c1cccc(NC(=N)NC(=N)N)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
POLB P06746 2/20 0.55
TDP1 Q9NUW8 1/20 0.54
ALDH1A1 P00352 5/20 0.53
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HPGD P15428 1/20 0.51
ALOX12 P18054 1/20 0.51
CREBBP Q92793 1/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP1A2 P05177 1/20 0.49

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
SCHEMBL6930688 0.87 KMT2A (0.62) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL6934470 0.85 CHEK1 (0.43) KMT2AMEN1POLBTDP1ALDH1A1
Hydrochloric Acid SCHEMBL3499092 0.84 CHEK1 (0.43) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL17777448 0.82 MAPT (0.50) KMT2AMEN1POLBTDP1ALDH1A1
Hydrochloric Acid SCHEMBL19371465 0.81 MAPT (0.49) KMT2AMEN1POLBALDH1A1NPC1
Phenyl Biguanide SCHEMBL27966486 0.80 HSD17B10 (0.52) KMT2AMEN1POLBALDH1A1NPC1
SCHEMBL7877536 0.80 KMT2A (0.66) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL4795890 0.80 KMT2A (0.66) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL1741887 0.79 CYP1A2 (0.59) KMT2AMEN1POLBALDH1A1NPC1
Hydrochloric Acid SCHEMBL28340523 0.78 CYP1A2 (0.57) KMT2AMEN1POLBALDH1A1NPC1

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
EP-0865434-B1 COMPOUNDS AND THEIR USE TO TREAT INFECTIOUS DISEASES PICOWER INST MED RES (US) 2003-12-17 EP claimed