SCHEMBL7858569

SCHEMBL7858569

O=C(OCc1ccc([N+](=O)[O-])cc1)N1C[C@@H](SC(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@H]1CSc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
ATM Q13315 1/20 0.40
CCR5 P51681 2/20 0.39
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.35

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
SCHEMBL7805543 0.89 TDP1 (0.43) TDP1ATMCCR5RAB9ANPC1
SCHEMBL7805572 0.89 TDP1 (0.42) TDP1ATMCCR5RAB9ANPC1
SCHEMBL8781804 0.88 TDP1 (0.42) TDP1ATMCCR5RAB9ANPC1
SCHEMBL9138797 0.88 TDP1 (0.42) TDP1ATMCCR5RAB9ANPC1
SCHEMBL9363174 0.85 CCR5 (0.42) TDP1ATMCCR5
SCHEMBL8781845 0.85 CCR5 (0.40) TDP1ATMCCR5RAB9ANPC1
SCHEMBL8782044 0.85 CCR5 (0.40) TDP1ATMCCR5RAB9ANPC1
SCHEMBL10514723 0.85 CCR5 (0.43) TDP1ATMCCR5RAB9A
SCHEMBL9137735 0.85 CCR5 (0.43) TDP1ATMCCR5RAB9A
SCHEMBL7806815 0.85 CCR5 (0.43) TDP1ATMCCR5RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0747381-B1 CARBAPENEM DERIVATIVE BANYU PHARMA CO LTD (JP) 2001-10-31 EP disclosed
US-5707987-A BACTERICIDE ANTIBIOTICS BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-01-13 US disclosed
EP-0747381-A1 CARBAPENEM DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-12-11 EP disclosed