SCHEMBL9521184

SCHEMBL9521184

NC(=O)[C@@H]1C[C@@H](SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
ATM Q13315 1/20 0.41
CCR5 P51681 2/20 0.41
RAB9A P51151 3/20 0.40
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
NPC1 O15118 2/20 0.37
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
IDO1 P14902 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
SCHEMBL9519179 1.00 TDP1 (0.42) TDP1ATMCCR5RAB9ASIRT2
SCHEMBL10706956 1.00 TDP1 (0.42) TDP1ATMCCR5RAB9ASIRT2
SCHEMBL7811582 0.89 TDP1 (0.43) TDP1ATMCCR5
SCHEMBL7805572 0.87 TDP1 (0.42) TDP1ATMCCR5RAB9ANPC1
SCHEMBL8781804 0.86 TDP1 (0.42) TDP1ATMCCR5RAB9ANPC1
SCHEMBL9138797 0.86 TDP1 (0.42) TDP1ATMCCR5RAB9ANPC1
SCHEMBL7860693 0.86 TDP1 (0.43) TDP1ATMCCR5RAB9ANPC1
SCHEMBL7805543 0.86 TDP1 (0.43) TDP1ATMCCR5RAB9ANPC1
SCHEMBL9569904 0.86 TDP1 (0.43) TDP1ATMCCR5RAB9A
SCHEMBL9368219 0.86 CCR5 (0.39) TDP1CCR5RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0272455-B1 3-Pyrrolidinylthio-1-azabicyclo [3.2.0] hept-2-ene-2-carboxylic acid compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-02-10 EP disclosed
US-5138064-A Chemical intermediate for penicillin derivative FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-08-11 US disclosed
US-4921852-A CARBAPENICILLINS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-05-01 US disclosed
EP-0272455-A1 3-Pyrrolidinylthio-1-azabicyclo [3.2.0] hept-2-ene-2-carboxylic acid compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-06-29 EP disclosed