SCHEMBL9829848

SCHEMBL9829848

O=C(Cc1ccccc1)NCC(=O)NC(Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 1/20 0.45
▸ ITGB3 P05106 1/20 0.43
▸ ITGA2B P08514 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CSNK1D P48730 1/20 0.38
▸ PIN1 Q13526 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ACE P12821 1/20 0.38
▸ CNR1 P21554 1/20 0.38

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
SCHEMBL9829868 1.00 SLC6A9 (0.45) SLC6A9ITGB3ITGA2BPOLBKMT2A
SCHEMBL9829783 0.92 ITGB3 (0.49) ITGB3ITGA2BKMT2ACTSLCTSB
SCHEMBL9829792 0.92 ITGB3 (0.49) ITGB3ITGA2BKMT2ACTSLCTSB
SCHEMBL9828875 0.86 MAPK1 (0.44) ITGB3ITGA2BALDH1A1
SCHEMBL9828889 0.86 MAPK1 (0.44) ITGB3ITGA2BALDH1A1
SCHEMBL9828822 0.86 MAPK1 (0.45) ITGB3ITGA2BALDH1A1
SCHEMBL9828841 0.86 MAPK1 (0.45) ITGB3ITGA2BALDH1A1
SCHEMBL9829443 0.85 GPR139 (0.45) SLC6A9KMT2AMEN1ACE
SCHEMBL9829425 0.85 GPR139 (0.45) SLC6A9KMT2AMEN1ACE
SCHEMBL9829179 0.85 GPR139 (0.47) SLC6A9KMT2AMEN1ACE

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-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 — — EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 — — US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 — — EP disclosed
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