SCHEMBL4678745

SCHEMBL4678745

COc1ccc(NC(=N)NC#N)cn1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
RAB9A P51151 4/20 0.52
ALDH1A1 P00352 2/20 0.52
NPC1 O15118 2/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 10/20 0.50
MEN1 O00255 9/20 0.50
MAPT P10636 1/20 0.50
POLB P06746 2/20 0.49
PABPC1 P11940 5/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
KCNJ11 Q14654 1/20 0.44
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 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
SCHEMBL4684017 0.77 KCNJ11 (0.42) KCNJ11
SCHEMBL4683462 0.77 KCNQ3 (0.45) KCNJ11
SCHEMBL9954855 0.76 KMT2A (0.56) KDM4ERAB9AALDH1A1NPC1LMNA
SCHEMBL11227303 0.76 NPC1 (0.50) KDM4ERAB9AALDH1A1NPC1HTT
SCHEMBL8032376 0.76 KMT2A (0.56) KDM4ERAB9AALDH1A1NPC1LMNA
SCHEMBL6954710 0.75 KMT2A (0.49) KDM4ERAB9AALDH1A1NPC1LMNA
SCHEMBL8854243 0.75 ABCC9 (0.40) KDM4ERAB9AALDH1A1LMNAHTT
SCHEMBL4683576 0.73 KCNJ11 (0.45) KCNJ11
SCHEMBL4678738 0.72 KMT2A (0.49) KDM4ERAB9AALDH1A1NPC1LMNA
SCHEMBL4678743 0.72 KMT2A (0.49) KDM4ERAB9AALDH1A1NPC1LMNA

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
EP-1392655-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2008-07-16 EP disclosed
EP-1392655-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2004-03-03 EP disclosed
WO-2002062762-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO disclosed