SCHEMBL7348975

SCHEMBL7348975

N#CN=C(Nc1cccnc1)NC1(c2cccc(Cl)c2)CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MAPT P10636 4/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
ABCC9 O60706 4/20 0.41
ABCC8 Q09428 4/20 0.41
KCNJ11 Q14654 4/20 0.41
KCNJ8 Q15842 4/20 0.41
SGMS2 Q8NHU3 1/20 0.39
NOTUM Q6P988 1/20 0.39
PKM P14618 1/20 0.38
P2RX7 Q99572 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
LMNA P02545 1/20 0.37
NPC1 O15118 1/20 0.37
CSF1R P07333 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL7348973 1.00 ALDH1A1 (0.43) ALDH1A1MAPTTP53POLBABCC9
SCHEMBL4259491 0.87 P2RX7 (0.41) ALDH1A1MAPTABCC9ABCC8KCNJ11
SCHEMBL13949283 0.87 P2RX7 (0.41) ALDH1A1MAPTABCC9ABCC8KCNJ11
SCHEMBL7357917 0.87 P2RX7 (0.41) ALDH1A1MAPTABCC9ABCC8KCNJ11
SCHEMBL4264238 0.83 P2RX7 (0.43) ALDH1A1MAPTABCC9ABCC8KCNJ11
SCHEMBL13949288 0.83 P2RX7 (0.43) ALDH1A1MAPTABCC9ABCC8KCNJ11
SCHEMBL7348979 0.78 ABCC9 (0.49) ALDH1A1MAPTTP53POLBABCC9
SCHEMBL11154423 0.77 LMNA (0.45) ALDH1A1TP53POLBABCC9ABCC8
SCHEMBL7354870 0.77 P2RX7 (0.41) ALDH1A1MAPTTP53ABCC9ABCC8
SCHEMBL7354869 0.77 P2RX7 (0.41) ALDH1A1MAPTTP53ABCC9ABCC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0655057-B1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS UPJOHN CO (US) 1997-09-17 EP claimed
US-5567722-A DIURETICS THE UPJOHN COMPANY (US) 1996-10-22 US claimed
EP-0655057-A1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS. UPJOHN CO (US) 1995-05-31 EP claimed
WO-1994004500-A1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS THE UPJOHN COMPANY (US) 1994-03-03 WO claimed
EP-0655057-B1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS UPJOHN CO (US) 1997-09-17 EP disclosed
US-5567722-A DIURETICS THE UPJOHN COMPANY (US) 1996-10-22 US disclosed
EP-0655057-A1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS. UPJOHN CO (US) 1995-05-31 EP disclosed
WO-1994004500-A1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS THE UPJOHN COMPANY (US) 1994-03-03 WO disclosed