SCHEMBL7127566

SCHEMBL7127566

O=C(O)c1cn(Cc2ccncc2)c2cc(I)ccc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
CHRM1 P11229 5/20 0.48
TOP1 P11387 2/20 0.44
PTPN1 P18031 1/20 0.44
CAPN1 P07384 1/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43

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
SCHEMBL13578556 0.91 LMNA (0.56) LMNACHRM1PTPN1CNR1CNR2
SCHEMBL7123296 0.85 P2RX3 (0.55) LMNAPTPN1CNR1CNR2
SCHEMBL4149301 0.80 KDM4E (0.57) LMNAPTPN1
SCHEMBL8913601 0.79 LMNA (0.46) LMNACHRM1PTPN1
SCHEMBL7056189 0.79 LMNA (0.56) LMNACHRM1
SCHEMBL10475528 0.77 CAPN1 (0.53) LMNACHRM1TOP1CAPN1CNR1
SCHEMBL7131581 0.77 LMNA (0.44) LMNACHRM1
SCHEMBL3003393 0.76 LMNA (0.54) LMNAPTPN1CNR1CNR2
SCHEMBL5544795 0.75 LMNA (0.73) LMNACHRM1CNR2
SCHEMBL2070531 0.74 LMNA (0.71) LMNACHRM1CNR2

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-0793656-B1 NOVEL BENZYL PYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2003-03-26 EP disclosed
US-5763450-A BACTERICIDES; TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
EP-0793656-A1 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1997-09-10 EP disclosed
WO-1996016046-A2 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1996-05-30 WO disclosed