SCHEMBL8146566

SCHEMBL8146566

O=c1cc(Nc2ccc3c(c2)CCC3)[nH]c(=S)[nH]1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLA1 P09884 1/20 0.43
▸ RAPGEF4 Q8WZA2 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ RECQL P46063 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ BPTF Q12830 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
SCHEMBL3971654 0.85 TP53 (0.57) TP53MAPT
SCHEMBL379238 0.72 RAPGEF4 (0.63) RAPGEF4TP53POLBMAPTTHRB
SCHEMBL25912039 0.68 RAPGEF4 (0.58) RAPGEF4TP53POLBMAPTADRA2A
SCHEMBL5940600 0.68 — —
SCHEMBL7253779 0.68 — —
SCHEMBL8154557 0.68 ALDH1A1 (0.41) POLA1RAPGEF4TP53POLBUSP2
SCHEMBL8154422 0.68 — —
SCHEMBL8154174 0.67 ALDH1A1 (0.43) TP53USP2MAPTRAB9A
SCHEMBL8160226 0.67 POLB (0.48) POLA1RAPGEF4POLBUSP2MAPT
SCHEMBL7259083 0.66 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0772439-B1 Novel antibiotic compounds and antibiotic compositions comprising said compounds for inhibiting gram positive bacteria and mycoplasma cells. UNIV MASSACHUSETTS MEDICAL (US) 2000-10-04 — — EP disclosed
EP-0772439-A4 NOVEL ANTIBIOTIC COMPOUNDS AND METHODS TO TREAT GRAM-POSITIVE BACTERIAL AND MYCOPLASMAL INFECTIONS UNIV MASSACHUSETTS MEDICAL (US) 1998-01-07 — — EP disclosed
EP-0772439-A1 NOVEL ANTIBIOTIC COMPOUNDS AND METHODS TO TREAT GRAM-POSITIVE BACTERIAL AND MYCOPLASMAL INFECTIONS UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1997-05-14 — — EP disclosed
US-5516905-A ENZYME INHIBITORS OF DNA POLYMERASE FOR BACTERICIDES UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1996-05-14 — — US disclosed
WO-1996006614-A1 NOVEL ANTIBIOTIC COMPOUNDS AND METHODS TO TREAT GRAM-POSITIVE BACTERIAL AND MYCOPLASMAL INFECTIONS UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1996-03-07 — — WO disclosed
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