SCHEMBL7707775

SCHEMBL7707775

N#Cc1cc2c(C3CCOC3)cccc2n1-c1ccc(NC(=O)c2cccnc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.48
TP53 P04637 3/20 0.48
MAPT P10636 7/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 5/20 0.42
GFER P55789 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
EPHX2 P34913 1/20 0.39
MAPK1 P28482 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
KCNK3 O14649 1/20 0.38
HTT P42858 2/20 0.38
F2 P00734 1/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37

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
SCHEMBL7707522 0.88 SMN1; SMN2 (0.50) SMN1; SMN2TP53MAPTNPC1RAB9A
SCHEMBL7710408 0.86 SMN1; SMN2 (0.46) SMN1; SMN2TP53MAPTNPC1RAB9A
SCHEMBL7710312 0.86 SMN1; SMN2 (0.50) SMN1; SMN2TP53MAPTNPC1RAB9A
SCHEMBL7707124 0.84 SMN1; SMN2 (0.48) SMN1; SMN2TP53MAPTNPC1RAB9A
SCHEMBL7086655 0.80 EPHX2 (0.48) SMN1; SMN2TP53MAPTNPC1RAB9A
SCHEMBL7141571 0.79 ALDH1A1 (0.59) SMN1; SMN2TP53MAPTNPC1RAB9A
SCHEMBL7707537 0.78 ROCK2 (0.48) SMN1; SMN2TP53MAPTNPC1RAB9A
SCHEMBL7704594 0.77 SMN1; SMN2 (0.44) SMN1; SMN2TP53MAPTNPC1RAB9A
SCHEMBL7704583 0.76 HDAC1 (0.47) SMN1; SMN2TP53MAPTNPC1RAB9A
SCHEMBL7091715 0.75 MEN1 (0.43) SMN1; SMN2TP53MAPTNPC1RAB9A

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
US-6353007-B1 ANTIINFLAMMATORY AGENTS AND INHIBITORS OF CELLULAR POLIFERATION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-03-05 US claimed
US-6353007-B1 ANTIINFLAMMATORY AGENTS AND INHIBITORS OF CELLULAR POLIFERATION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-03-05 US disclosed