SCHEMBL6497629

SCHEMBL6497629

[CH2]NC(=O)c1cccc(N(C)C)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.63
LMNA P02545 2/20 0.63
KDM4E B2RXH2 6/20 0.57
SMN1; SMN2 Q16637 6/20 0.57
RAB9A P51151 5/20 0.57
NPC1 O15118 4/20 0.57
HSD17B10 Q99714 3/20 0.57
GFER P55789 1/20 0.57
MAPT P10636 5/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.54
ALOX15 P16050 1/20 0.54
HTT P42858 2/20 0.51
USP2 O75604 1/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 1/20 0.50
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
SIGMAR1 Q99720 1/20 0.49

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
SCHEMBL7495727 0.84 POLB (0.69) POLBLMNAKDM4ESMN1; SMN2RAB9A
SCHEMBL31490713 0.82 POLB (0.59) POLBLMNAKDM4ESMN1; SMN2RAB9A
SCHEMBL4252143 0.79 PARP1 (0.57) POLBLMNAKDM4ESMN1; SMN2RAB9A
SCHEMBL893991 0.79 PARP1 (0.57) POLBLMNAKDM4ESMN1; SMN2RAB9A
SCHEMBL13702275 0.79 KDM4E (0.62) POLBLMNAKDM4ESMN1; SMN2RAB9A
SCHEMBL13701704 0.79 LMNA (0.56) POLBLMNAKDM4ESMN1; SMN2RAB9A
SCHEMBL13753398 0.79 KDM4E (0.58) POLBLMNAKDM4ESMN1; SMN2RAB9A
SCHEMBL7056764 0.79 HPGD (0.59) POLBLMNAKDM4ESMN1; SMN2RAB9A
SCHEMBL8970557 0.78 KCNK3 (0.70) POLBKDM4ESMN1; SMN2RAB9ANPC1
Hydrochloric Acid SCHEMBL3862436 0.78 PARP1 (0.55) POLBLMNAKDM4ESMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO claimed
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed