SCHEMBL8095107

SCHEMBL8095107

CN1CCN(C(=O)CC(O)[C@@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
KCNJ1 P48048 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 4/20 0.37
TP53 P04637 1/20 0.37
RECQL P46063 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL8102746 0.94 KMT2A (0.45) KMT2AKCNJ1KCNH2ALDH1A1HRH2
SCHEMBL8102735 0.94 KMT2A (0.45) KMT2AKCNJ1KCNH2ALDH1A1HRH2
SCHEMBL8104461 0.94 KMT2A (0.45) KMT2AKCNJ1KCNH2ALDH1A1HRH2
SCHEMBL8588975 0.94 KMT2A (0.45) KMT2AKCNJ1KCNH2ALDH1A1HRH2
SCHEMBL8104577 0.88 DPP8 (0.36) KMT2AKCNJ1KCNH2ALDH1A1GAA
SCHEMBL8095116 0.84 DPP8 (0.42) KMT2AALDH1A1LMNASMN1; SMN2DPP8
SCHEMBL10701426 0.84 RAB9A (0.40) ALDH1A1HPGDMAPTDPP8DPP9
SCHEMBL8102914 0.84 DPP8 (0.37) KMT2AKCNJ1KCNH2ALDH1A1MAPT
SCHEMBL8102893 0.84 DPP8 (0.37) KMT2AKCNJ1KCNH2ALDH1A1MAPT
SCHEMBL8110594 0.84 CCR5 (0.38)

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-6090802-A BACTERICIDE SANKYO COMPANY, LIMITED (JP) 2000-07-18 US disclosed
EP-0882728-A1 1-METHYLCARBAPENEM DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-09 EP disclosed