SCHEMBL9199587

SCHEMBL9199587

NC(=O)C1CC(S)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
TDP1 Q9NUW8 1/20 0.43
IDO1 P14902 2/20 0.42
ALDH1A1 P00352 2/20 0.41
ATM Q13315 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
MAOB P27338 1/20 0.39

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
SCHEMBL9208996 1.00 RAB9A (0.46) RAB9ANPC1TDP1IDO1ALDH1A1
SCHEMBL9728072 1.00 RAB9A (0.46) RAB9ANPC1TDP1IDO1ALDH1A1
SCHEMBL9196975 0.91 RAB9A (0.45) RAB9ANPC1TDP1IDO1ALDH1A1
SCHEMBL9020617 0.91 RAB9A (0.43) RAB9ANPC1TDP1IDO1ALDH1A1
SCHEMBL8541140 0.90 RAB9A (0.41) RAB9ANPC1TDP1ALDH1A1ATM
SCHEMBL8438677 0.90 RAB9A (0.41) RAB9ANPC1TDP1ALDH1A1ATM
SCHEMBL5719627 0.90 TDP1 (0.46) RAB9ANPC1TDP1IDO1ALDH1A1
SCHEMBL9728572 0.90 TDP1 (0.48) RAB9ANPC1TDP1IDO1ALDH1A1
SCHEMBL9204434 0.90 TDP1 (0.48) RAB9ANPC1TDP1IDO1ALDH1A1
SCHEMBL9204969 0.90 TDP1 (0.46) RAB9ANPC1TDP1IDO1ALDH1A1

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-0126587-B1 Carboxylic thio-pyrrolidinyl beta-lactam compounds and production thereof SUMITOMO PHARMA (JP) 1995-04-19 EP disclosed