SCHEMBL8438677

SCHEMBL8438677

NC(=O)C1CN(C(=O)C2CC(S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)CCN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 2/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL8541140 1.00 RAB9A (0.41) RAB9ANPC1ALDH1A1LMNADPP8
SCHEMBL8434820 0.91 TDP1 (0.43) ALDH1A1LMNADPP8DPP9TDP1
SCHEMBL9208996 0.90 RAB9A (0.46) RAB9ANPC1ALDH1A1LMNADPP8
SCHEMBL9199587 0.90 RAB9A (0.46) RAB9ANPC1ALDH1A1LMNADPP8
SCHEMBL9728072 0.90 RAB9A (0.46) RAB9ANPC1ALDH1A1LMNADPP8
SCHEMBL8435953 0.90 PDK1 (0.45) ALDH1A1LMNADPP8DPP9TDP1
SCHEMBL8435956 0.90 PDK1 (0.45) ALDH1A1LMNADPP8DPP9TDP1
SCHEMBL8588093 0.90 PDK1 (0.45) ALDH1A1LMNADPP8DPP9TDP1
SCHEMBL9728223 0.88 DPP8 (0.46) DPP8DPP9TDP1
SCHEMBL9040433 0.87 ALDH1A1 (0.41) ALDH1A1LMNATDP1MAPTSMN1; SMN2

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-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