SCHEMBL9574263

SCHEMBL9574263

NC(=NC(=O)OCc1ccc([N+](=O)[O-])cc1)NCCNC(=O)[C@@H]1C[C@H](S)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
RAB9A P51151 3/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
NPC1 O15118 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.35
ATM Q13315 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.34
PRCP P42785 1/20 0.34
TLR2 O60603 1/20 0.34
TLR1 Q15399 1/20 0.34

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
SCHEMBL8435951 0.91 SMN1; SMN2 (0.37) MAPTRAB9ACYP3A4CYP2C9TSHR
SCHEMBL9574265 0.88 DPP8 (0.40) MAPTRAB9ADPP8DPP9NPC1
SCHEMBL8439876 0.87 MAPT (0.38) MAPTRAB9ACYP3A4CYP2C9TSHR
SCHEMBL9202870 0.86 DPP8 (0.40) MAPTRAB9ACYP3A4CYP2C9TSHR
SCHEMBL9121007 0.85 DPP8 (0.43) MAPTRAB9ACYP3A4CYP2C9TSHR
SCHEMBL9574214 0.84 DPP8 (0.35) MAPTRAB9ACYP3A4CYP2C9TSHR
SCHEMBL9574341 0.84 DPP8 (0.35) MAPTRAB9ACYP3A4CYP2C9TSHR
SCHEMBL9121235 0.84 DPP8 (0.44) MAPTRAB9ACYP3A4CYP2C9TSHR
SCHEMBL8447430 0.84 TPSAB1 (0.39) MAPTRAB9ACYP3A4CYP2C9TSHR
SCHEMBL8444908 0.84 TPSAB1 (0.39) MAPTRAB9ACYP3A4CYP2C9TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0560613-A1 Antimicrobial carbapenem derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1993-09-15 EP disclosed