SCHEMBL4733787

SCHEMBL4733787

CCN(CC)c1ccc(CN(C(=O)c2cccs2)c2ccc(F)cc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.43
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
ABL1 P00519 1/20 0.41
GFER P55789 1/20 0.41
CACNA1H O95180 1/20 0.41
TP53 P04637 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40

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
SCHEMBL3066627 0.86 LMNA (0.47) MAPTLMNAGAACACNA1HTP53
SCHEMBL4738921 0.82 TRPM8 (0.43) CACNA1HTRPM8
SCHEMBL4733659 0.82 CACNA1H (0.41) CACNA1H
SCHEMBL4736030 0.81 CACNA1H (0.47) KMT2AMEN1TSHRCACNA1HALDH1A1
SCHEMBL3071006 0.81 CACNA1H (0.47) KMT2AMEN1MAPTLMNACACNA1H
SCHEMBL4734213 0.80 LMNA (0.54) KMT2AMEN1MAPTLMNAGAA
SCHEMBL3821700 0.79 CNR2 (0.49) GAACACNA1H
SCHEMBL8186704 0.79 HPGD (0.41) MAPTLMNACACNA1HKDM4E
SCHEMBL4736795 0.79 CACNA1H (0.43) MAPTLMNACACNA1HRAB9ANPC1
SCHEMBL4737551 0.79 ALDH1A1 (0.44) MAPTLMNAGAACACNA1HTP53

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
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed