SCHEMBL7429660

SCHEMBL7429660

CCOC(=O)CN1CCc2cc(C(=O)Nc3ccc(C=NN4CCN(C)CC4)cc3)ccc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 4/20 0.47
TNF P01375 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NOD2 Q9HC29 2/20 0.46
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
ABCB1 P08183 7/20 0.43
ABCG2 Q9UNQ0 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL7429656 1.00 NOD1 (0.47) NOD1TNFALDH1A1MAPTHSD17B10
SCHEMBL7435636 0.97 NOD1 (0.47) NOD1TNFALDH1A1MAPTHSD17B10
SCHEMBL7435647 0.97 NOD1 (0.47) NOD1TNFALDH1A1MAPTHSD17B10
SCHEMBL7429397 0.95 ITGB3 (0.50) NOD1TNFALDH1A1MAPTHSD17B10
SCHEMBL7429400 0.95 ITGB3 (0.50) NOD1TNFALDH1A1MAPTHSD17B10
SCHEMBL7393157 0.93 NPC1 (0.48) NOD1TNFALDH1A1MAPTHSD17B10
SCHEMBL7393160 0.93 NPC1 (0.48) NOD1TNFALDH1A1MAPTHSD17B10
SCHEMBL7396088 0.92 MAPT (0.46) NOD1TNFALDH1A1MAPTHSD17B10
SCHEMBL7396089 0.92 MAPT (0.46) NOD1TNFALDH1A1MAPTHSD17B10
SCHEMBL7394371 0.92 ALDH1A1 (0.45) NOD1TNFALDH1A1MAPTHSD17B10

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
EP-0760364-B1 Amidine derivatives and platelet aggregation inhibitor containing the same MITSUI CHEMICALS INC (JP) 2000-07-19 EP disclosed
EP-0760364-A2 Amidine derivatives and platelet aggregation inhibitor containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1997-03-05 EP disclosed