SCHEMBL10701426

SCHEMBL10701426

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
IDO1 P14902 2/20 0.37
HTR2A P28223 1/20 0.37
DPP4 P27487 1/20 0.36
FAP Q12884 1/20 0.36
DPP7 Q9UHL4 1/20 0.36

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
SCHEMBL8102746 0.87 KMT2A (0.45) TDP1DPP8DPP9ALDH1A1MAPT
SCHEMBL8102735 0.87 KMT2A (0.45) TDP1DPP8DPP9ALDH1A1MAPT
SCHEMBL8104461 0.87 KMT2A (0.45) TDP1DPP8DPP9ALDH1A1MAPT
SCHEMBL8588975 0.87 KMT2A (0.45) TDP1DPP8DPP9ALDH1A1MAPT
SCHEMBL8095107 0.84 KMT2A (0.41) DPP8DPP9ATMALDH1A1MAPT
SCHEMBL8113886 0.84 DPP8 (0.44) RAB9ANPC1TDP1DPP8DPP9
SCHEMBL8108943 0.84 DPP8 (0.36) RAB9ANPC1TDP1DPP8DPP9
SCHEMBL9390729 0.83 HTR2A (0.44) RAB9ATDP1DPP8DPP9ATM
SCHEMBL8697407 0.83 HTR2A (0.44) RAB9ATDP1DPP8DPP9ATM
SCHEMBL8104577 0.83 DPP8 (0.36) TDP1DPP8DPP9ALDH1A1MAPT

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-0280771-A1 3-Pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid derivatives and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-09-07 EP disclosed