SCHEMBL6441408

SCHEMBL6441408

COc1ccc(NC(=O)Nc2ccc(C)cc2)cc1NC(=O)Nc1ccc(C)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.76
MEN1 O00255 11/20 0.76
KMT2A Q03164 11/20 0.76
MAPK1 P28482 3/20 0.76
TP53 P04637 2/20 0.76
GAA P10253 2/20 0.76
ALDH1A1 P00352 2/20 0.74
CASP3 P42574 2/20 0.72
SENP7 Q9BQF6 2/20 0.72
SENP6 Q9GZR1 1/20 0.72
RAB9A P51151 3/20 0.67
LMNA P02545 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
HTT P42858 1/20 0.67
CA12 O43570 2/20 0.64
CA1 P00915 2/20 0.64
CA2 P00918 2/20 0.64
CA9 Q16790 2/20 0.64
NR1I2 O75469 1/20 0.58
HPGD P15428 1/20 0.58

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
SCHEMBL13556626 0.88 KMT2A (0.71) MAPTMEN1KMT2AMAPK1TP53
SCHEMBL14045449 0.88 KMT2A (0.69) MAPTMEN1KMT2AMAPK1TP53
SCHEMBL6442706 0.86 MEN1 (0.82) MAPTMEN1KMT2AMAPK1TP53
SCHEMBL13556614 0.86 MAPT (0.70) MAPTMEN1KMT2AMAPK1TP53
SCHEMBL4247303 0.85 MEN1 (0.64) MAPTMEN1KMT2AMAPK1TP53
SCHEMBL4442005 0.85 KMT2A (1.00) MAPTMEN1KMT2AMAPK1TP53
SCHEMBL5852135 0.84 MAPT (0.78) MAPTMEN1KMT2AMAPK1TP53
SCHEMBL13556628 0.84 MAPT (0.68) MAPTMEN1KMT2AMAPK1TP53
SCHEMBL13878814 0.84 MEN1 (0.80) MAPTMEN1KMT2AMAPK1TP53
SCHEMBL16942617 0.83 KMT2A (0.74) MAPTMEN1KMT2AMAPK1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1148048-B1 Polyaromatic compounds for treating herpes viral infections PHARMACIA & UPJOHN CO LLC (US) 2005-06-29 EP claimed
EP-1148048-A2 Polyaromatic antiviral compositions PHARMACIA & UPJOHN COMPANY (US) 2001-10-24 EP claimed
US-6147116-A TOPICALLY ADMINISTERING BENZENE DERIVATIVE SUBSTITUTED WITH UREIDO-, THIOUREIDO, AND/OR SULFONAMIDO GROUPS TO TREAT HERPES PHARMACIA & UPJOHN COMPANY (US) 2000-11-14 US claimed
EP-1148048-B1 Polyaromatic compounds for treating herpes viral infections PHARMACIA & UPJOHN CO LLC (US) 2005-06-29 EP disclosed
EP-1148048-A2 Polyaromatic antiviral compositions PHARMACIA & UPJOHN COMPANY (US) 2001-10-24 EP disclosed
US-6147116-A TOPICALLY ADMINISTERING BENZENE DERIVATIVE SUBSTITUTED WITH UREIDO-, THIOUREIDO, AND/OR SULFONAMIDO GROUPS TO TREAT HERPES PHARMACIA & UPJOHN COMPANY (US) 2000-11-14 US disclosed
US-5958983-A NOVEL COMPOUNDS HAVING ANTIVIRAL ACTIVITY AGAINST HERPES, TOPICAL ADMINISTRATION THEM TO TREAT PATIENTS WITH HERPES; WORK BY INHIBITING THE INITIATION OF HERPES VIRAL DNA SYNTHESIS IN HOST CELLS PHARMACIA & UPJOHN COMPANY (US) 1999-09-28 US disclosed