SCHEMBL7708661

SCHEMBL7708661

CCOC(=O)CCN(C=O)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
LTA4H P09960 2/20 0.42
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
NQO2 P16083 1/20 0.40
GAA P10253 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALOX5 P09917 1/20 0.40
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL6860110 0.91 HDAC1 (0.44) LMNASMN1; SMN2LTA4HCYP4F2CYP4A11
SCHEMBL18691961 0.84 MAPK1 (0.47) LMNASMN1; SMN2GAAMEN1KMT2A
SCHEMBL15150399 0.83 LMNA (0.49) LMNASMN1; SMN2LTA4HCYP4F2CYP4A11
SCHEMBL7711638 0.81 HDAC6 (0.46) LMNASMN1; SMN2ALDH1A1HDAC3HDAC4
SCHEMBL14696969 0.79 LMNA (0.48) LMNASMN1; SMN2LTA4HNQO2GAA
SCHEMBL28337704 0.78 CYP2D6 (0.47) LMNASMN1; SMN2ALDH1A1MAPK1KDM4E
SCHEMBL7903528 0.77 HDAC1 (0.62) HDAC3HDAC4HDAC1HDAC2HDAC6
SCHEMBL28827514 0.76 LMNA (0.45) LMNASMN1; SMN2LTA4HGAAMEN1
SCHEMBL6859239 0.76 FFAR4 (0.46) SMN1; SMN2ALDH1A1MAPK1HDAC3HDAC4
SCHEMBL28377221 0.76 SMN1; SMN2 (0.41) SMN1; SMN2GAAMEN1KMT2AALDH1A1

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-2978750-B1 \"SYNTHESIS OF DABIGATRAN\ USV PRIVATE LTD (IN) 2020-03-04 EP claimed
US-6794385-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-09-21 US disclosed