SCHEMBL8620720

SCHEMBL8620720

CCC(NC(=NC#N)Nc1cccnc1Cl)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
P2RX7 Q99572 3/20 0.41
KCNJ11 Q14654 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
TACR3 P29371 1/20 0.39
HTT P42858 1/20 0.38
KCNA5 P22460 1/20 0.38
OPRM1 P35372 1/20 0.38
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL8620712 1.00 MEN1 (0.42) MEN1KMT2AP2RX7KCNJ11SMN1; SMN2
SCHEMBL8620709 1.00 MEN1 (0.42) MEN1KMT2AP2RX7KCNJ11SMN1; SMN2
SCHEMBL7359995 0.88 P2RX7 (0.45) P2RX7TRPV1KCNA5ROCK2ROCK1
SCHEMBL8619959 0.88 P2RX7 (0.45) P2RX7TRPV1KCNA5ROCK2ROCK1
SCHEMBL8618718 0.88 P2RX7 (0.45) P2RX7TRPV1KCNA5ROCK2ROCK1
SCHEMBL8775014 0.78 KMT2A (0.47) MEN1KMT2AKCNJ11SMN1; SMN2NPC1
SCHEMBL13949284 0.78 KMT2A (0.47) MEN1KMT2AKCNJ11SMN1; SMN2NPC1
SCHEMBL7356810 0.78 KMT2A (0.47) MEN1KMT2AKCNJ11SMN1; SMN2NPC1
SCHEMBL4258463 0.78 KMT2A (0.47) MEN1KMT2AKCNJ11SMN1; SMN2NPC1
SCHEMBL7356807 0.78 KMT2A (0.47) MEN1KMT2AKCNJ11SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741708-B1 CYANOGUANIDINES AS K-CHANNEL BLOCKERS UPJOHN CO (US) 1998-05-20 EP claimed
US-5668157-A Cyanoguanidines as K-channel blockers PHARMACIA & UPJOHN COMPANY (US) 1997-09-16 US claimed
EP-0741708-B1 CYANOGUANIDINES AS K-CHANNEL BLOCKERS UPJOHN CO (US) 1998-05-20 EP disclosed
US-5668157-A Cyanoguanidines as K-channel blockers PHARMACIA & UPJOHN COMPANY (US) 1997-09-16 US disclosed