SCHEMBL7655034

SCHEMBL7655034

Nc1ccc(NC(=S)NCc2cccc(F)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.65
CYP19A1 P11511 2/20 0.59
LMNA P02545 4/20 0.56
KMT2A Q03164 3/20 0.56
GAA P10253 2/20 0.56
MAOB P27338 3/20 0.54
POLB P06746 1/20 0.53
MAOA P21397 2/20 0.53
MAPT P10636 4/20 0.51
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL6814776 0.87 MEN1 (0.55) HDAC1CYP19A1LMNAKMT2AGAA
SCHEMBL6815572 0.86 MAPT (0.66) HDAC1LMNAKMT2AGAAMAOB
SCHEMBL7655022 0.84 HDAC1 (0.69) HDAC1CYP19A1LMNAKMT2AGAA
SCHEMBL6819463 0.83 CYP19A1 (0.59) HDAC1CYP19A1LMNAKMT2AGAA
SCHEMBL6815186 0.83 CYP19A1 (0.72) HDAC1CYP19A1LMNAKMT2AGAA
SCHEMBL7568351 0.83 MAPT (0.67) HDAC1CYP19A1LMNAKMT2AGAA
SCHEMBL7657205 0.82 MEN1 (0.73) HDAC1LMNAKMT2AGAAMAOB
SCHEMBL6816848 0.82 MAOB (0.77) LMNAKMT2AGAAMAOBPOLB
SCHEMBL6815190 0.82 QPCT (0.58) HDAC1CYP19A1LMNAKMT2AGAA
SCHEMBL28410650 0.79 HDAC1 (1.00) HDAC1

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
US-6407249-B1 COMPOUNDS CONTAINING FURAN RING STRUCTURE AMERICAN HOME PRODUCTS CORPORATION 2002-06-18 US disclosed
US-6335350-B1 VARICELLA-ZOSTER, HUMAN CYTOMEGALO, EPSTEIN-BARR AND KAPOSI HERPESVIRUS TREATMENT AMERICAN HOME PRODUCTS CORPORATION 2002-01-01 US disclosed
EP-1137632-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
US-6207715-B1 USEFUL IN THERAPY OF DISEASES ASSOCIATED WITH HERPES VIRUSES INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES-6 AND -7, AND KAPOSI HERPES VIRUS AMERICAN HOME PRODUCTS CORPORATION 2001-03-27 US disclosed
US-6201013-B1 INOSINE MONOPHOSPHATE DEHYDROGENASE (IMPDH) INHIBITOR; SIDE EFFECT REDUCTION, NON-DRUG RESISTANT AMERICAN HOME PRODUCTS CORPORATION 2001-03-13 US disclosed
US-6166028-A Diaminopuridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-26 US disclosed
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed