SCHEMBL8619793

SCHEMBL8619793

CC[C@@H](NC(=NC#N)Nc1ccc(NCCF)nc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
QPCT Q16769 2/20 0.35
KCNK3 O14649 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
MAP3K8 P41279 1/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
DGAT1 O75907 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
APP P05067 1/20 0.32
SLC6A9 P48067 1/20 0.32
TACR3 P29371 3/20 0.32

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
SCHEMBL8619788 1.00 HDAC3 (0.35) HDAC3HDAC4HDAC1HDAC8HDAC6
SCHEMBL8619800 1.00 HDAC3 (0.35) HDAC3HDAC4HDAC1HDAC8HDAC6
SCHEMBL7361549 0.83 TACR3 (0.40) HDAC3HDAC4HDAC1HDAC8HDAC6
SCHEMBL7361551 0.83 TACR3 (0.40) HDAC3HDAC4HDAC1HDAC8HDAC6
SCHEMBL8620009 0.83 QPCT (0.39) HDAC3HDAC4HDAC1HDAC8HDAC6
SCHEMBL8622425 0.83 QPCT (0.39) HDAC3HDAC4HDAC1HDAC8HDAC6
SCHEMBL7424824 0.83 QPCT (0.39) HDAC3HDAC4HDAC1HDAC8HDAC6
SCHEMBL7353557 0.82 QPCT (0.38) HDAC3HDAC4HDAC1HDAC8HDAC6
SCHEMBL7353564 0.82 QPCT (0.38) HDAC3HDAC4HDAC1HDAC8HDAC6
SCHEMBL7354758 0.82 QPCT (0.38) HDAC3HDAC4HDAC1HDAC8HDAC6

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