SCHEMBL5271237

SCHEMBL5271237

Cc1cccc(N(C(N)=O)c2ccc(C[C]=O)cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.36
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
FFAR1 O14842 1/20 0.34
LMNA P02545 2/20 0.32
KMT2A Q03164 1/20 0.32
PARP1 P09874 1/20 0.32
FAAH O00519 1/20 0.30
KDR P35968 1/20 0.30
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30
PRKD3 O94806 1/20 0.30
MAPK9 P45984 1/20 0.30
MAPKAPK2 P49137 1/20 0.30
MAPK10 P53779 1/20 0.30
ROCK1 Q13464 1/20 0.30
ACVR2B Q13705 1/20 0.30
MYLK Q15746 1/20 0.30

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
SCHEMBL7929889 0.77 NPSR1 (0.42) RAB9ANPC1L3MBTL1FFAR1KMT2A
SCHEMBL6033646 0.77 TRPM8 (0.38) SMN1; SMN2LMNAKMT2A
SCHEMBL5271205 0.71 KCNA5 (0.36) RAB9ANPC1L3MBTL1SMN1; SMN2KDR
SCHEMBL743478 0.67 NPSR1 (0.45) P2RX7RAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL5880701 0.67 P2RX7 (0.42) P2RX7RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL7982618 0.66 ALDH1A1 (0.49) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL10464974 0.65 NPSR1 (0.42) RAB9ANPC1L3MBTL1KMT2APARP1
Urea SCHEMBL9618576 0.63 P2RX7 (0.55) P2RX7RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL7940014 0.63 HDAC6 (0.41) RAB9ANPC1KMT2A
SCHEMBL27551941 0.63 HTT (0.47) RAB9ANPC1L3MBTL1SMN1; SMN2FFAR1

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
US-6248713-B1 OLIGOPEPTIDE FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BIOGEN, INC. 2001-06-19 US claimed
EP-0842196-B1 CELL ADHESION INHIBITORS BIOGEN IDEC INC (US) 2007-11-21 EP disclosed
CN-1195778-C cell adhesion inhibitors BIOGEN INC (US) 2005-04-06 CN disclosed
CN-1193325-A cell adhesion inhibitors BIOGEN INC (US) 1998-09-16 CN disclosed