SCHEMBL8154557

SCHEMBL8154557

CC(N)n1c(=O)cc(Nc2ccc3c(c2)CCC3)[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP2B6 P20813 1/20 0.40
▸ RAPGEF4 Q8WZA2 1/20 0.39
▸ BPTF Q12830 1/20 0.39
▸ ALDH3A1 P30838 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ POLA1 P09884 1/20 0.38
▸ USP2 O75604 1/20 0.36
▸ P2RX3 P56373 1/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL7253779 0.76 — —
SCHEMBL7259083 0.74 — —
SCHEMBL8154422 0.74 — —
SCHEMBL5940600 0.74 — —
SCHEMBL8154174 0.73 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ATP53USP2
SCHEMBL24469576 0.71 CYP3A4 (0.64) ALDH1A1CYP3A4CYP1A2POLBCYP2C19
SCHEMBL29666975 0.71 CYP3A4 (0.64) ALDH1A1CYP3A4CYP1A2POLBCYP2C19
SCHEMBL24469575 0.71 CYP3A4 (0.64) ALDH1A1CYP3A4CYP1A2POLBCYP2C19
SCHEMBL6780106 0.71 — —
SCHEMBL8152565 0.71 — —

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 10 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 claimed
EP-0772439-A4 NOVEL ANTIBIOTIC COMPOUNDS AND METHODS TO TREAT GRAM-POSITIVE BACTERIAL AND MYCOPLASMAL INFECTIONS UNIV MASSACHUSETTS MEDICAL (US) 1998-01-07 — — EP claimed
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 claimed
US-5516905-A ENZYME INHIBITORS OF DNA POLYMERASE FOR BACTERICIDES UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1996-05-14 — — US claimed
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 claimed
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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