SCHEMBL8439876

SCHEMBL8439876

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.37
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
TLR2 O60603 1/20 0.34
TLR1 Q15399 1/20 0.34
TGM2 P21980 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CCR5 P51681 2/20 0.33
LMNA P02545 1/20 0.33
PRCP P42785 1/20 0.33

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
SCHEMBL9574263 0.87 MAPT (0.40) MAPTCYP3A4CYP2C9TSHRRAB9A
SCHEMBL8435951 0.85 SMN1; SMN2 (0.37) MAPTCYP3A4CYP2C9TSHRRAB9A
SCHEMBL9121007 0.83 DPP8 (0.43) MAPTCYP3A4CYP2C9TSHRRAB9A
SCHEMBL9121235 0.82 DPP8 (0.44) MAPTCYP3A4CYP2C9TSHRRAB9A
SCHEMBL9574226 0.82 ATM (0.36) MAPTRAB9AATMDPP8DPP9
SCHEMBL9121572 0.81 DPP8 (0.44) MAPTCYP3A4CYP2C9TSHRRAB9A
SCHEMBL9038821 0.80 MAPT (0.41) MAPTCYP3A4CYP2C9TSHRRAB9A
SCHEMBL9202870 0.80 DPP8 (0.40) MAPTCYP3A4CYP2C9TSHRRAB9A
SCHEMBL9727854 0.80 ALDH1A1 (0.42) MAPTATMTDP1ALDH1A1HPGD
SCHEMBL9208262 0.80 ALDH1A1 (0.42) MAPTATMTDP1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5866564-A STABILITY SANKYO COMPANY, LIMITED (JP) 1999-02-02 US disclosed
EP-0518558-B1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics SANKYO CO (JP) 1998-09-02 EP disclosed
US-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 US disclosed
EP-0518558-A1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics Sankyo Company Limited (JP) 1992-12-16 EP disclosed