SCHEMBL8447186

SCHEMBL8447186

NC(=NC(=O)OCc1ccc([N+](=O)[O-])cc1)N(C[C@H]1CCNC1)C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
EPHX1 P07099 1/20 0.35
IDO1 P14902 2/20 0.34
ATM Q13315 1/20 0.34
KMT2A Q03164 1/20 0.34
USP30 Q70CQ3 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
Hydrochloric Acid SCHEMBL8447344 0.86 ALDH1A1 (0.35) ALDH1A1TDP1KMT2AUSP30
SCHEMBL8448555 0.83 ALDH1A1 (0.39) ALDH1A1RAB9ATDP1ATMUSP30
SCHEMBL8444895 0.83 ALDH1A1 (0.39) ALDH1A1RAB9ATDP1ATMUSP30
SCHEMBL8447148 0.82 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2RAB9APOLBL3MBTL1
Hydrochloric Acid SCHEMBL8447212 0.81 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2RAB9APOLBL3MBTL1
SCHEMBL8447182 0.80 USP30 (0.47) ALDH1A1RAB9ATDP1ATMUSP30
SCHEMBL7454400 0.80 USP30 (0.47) ALDH1A1RAB9ATDP1ATMUSP30
Hydrochloric Acid SCHEMBL8448896 0.80 IDO1 (0.38) ALDH1A1SMN1; SMN2RAB9ALMNATDP1
Hydrochloric Acid SCHEMBL8447217 0.80 TDP1 (0.38) ALDH1A1RAB9ATDP1IDO1ATM
SCHEMBL8445602 0.79 CCR5 (0.41) TDP1

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-5977097-A 1-methylcarbapenem derivatives SANKYO COMPANY LIMITED (JP) 1999-11-02 US disclosed
EP-0900797-A1 1-METHYLCARBAPENEM DERIVATIVES SANKYO COMPANY LIMITED (JP) 1999-03-10 EP disclosed