SCHEMBL8440844

SCHEMBL8440844

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
RAB9A P51151 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ATM Q13315 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 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
SCHEMBL8435100 0.89 ALDH1A1 (0.38) MAPTRAB9ADPP8DPP9NPC1
SCHEMBL9202870 0.82 DPP8 (0.40) MAPTRAB9ACYP3A4CYP2C9TSHR
SCHEMBL9574263 0.82 MAPT (0.40) MAPTRAB9ACYP3A4CYP2C9TSHR
SCHEMBL9121007 0.82 DPP8 (0.43) MAPTRAB9ACYP3A4CYP2C9TSHR
SCHEMBL9121235 0.81 DPP8 (0.44) MAPTRAB9ACYP3A4CYP2C9TSHR
SCHEMBL9121572 0.80 DPP8 (0.44) MAPTRAB9ACYP3A4CYP2C9TSHR
SCHEMBL7454154 0.80 ENPP2 (0.34) DPP8DPP9ALDH1A1
SCHEMBL9208996 0.79 RAB9A (0.46) MAPTRAB9ADPP8DPP9NPC1
SCHEMBL9199587 0.79 RAB9A (0.46) MAPTRAB9ADPP8DPP9NPC1
SCHEMBL9728072 0.79 RAB9A (0.46) MAPTRAB9ADPP8DPP9NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5866564-A STABILITY SANKYO COMPANY, LIMITED (JP) 1999-02-02 US disclosed
US-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 US disclosed
EP-0560613-A1 Antimicrobial carbapenem derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1993-09-15 EP disclosed