SCHEMBL7657156

SCHEMBL7657156

NC(=O)c1ccc(N(S)C(=O)NCc2ccccc2F)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.48
MAOB P27338 1/20 0.48
PARP15 Q460N3 1/20 0.48
PARP14 Q460N5 1/20 0.48
HPGD P15428 5/20 0.43
RIPK1 Q13546 1/20 0.42
NPC1 O15118 1/20 0.42
HDAC1 Q13547 1/20 0.41
KCNA5 P22460 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PPIA P62937 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL6819593 0.88 PARP10 (0.49) PARP10MAOBPARP15PARP14NPC1
SCHEMBL7662586 0.85 NPC1 (0.50) NPC1HTTLMNASMN1; SMN2ALDH1A1
SCHEMBL7692028 0.81 HDAC1 (0.52) HPGDNPC1HDAC1HTTSMN1; SMN2
SCHEMBL6816846 0.81 OPRM1 (0.50) PARP10HPGDHDAC1
SCHEMBL6816291 0.81 KMT2A (0.40) MAOBLMNA
SCHEMBL7657200 0.79 MAOB (0.46) PARP10MAOBHPGDHDAC1KCNA5
SCHEMBL6815184 0.79 VNN1 (0.46) MAOBKCNA5
SCHEMBL6814775 0.78 METAP2 (0.41) PARP10MAOBKCNA5
SCHEMBL7655027 0.78 MAOB (0.50) PARP10MAOBHDAC1
SCHEMBL7666786 0.77 RAB9A (0.46) PARP10MAOBPARP15PARP14NPC1

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 6 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
US-6262082-B1 Diaminopyridine-containing thiourea inhibitors of herpes viruses WYETH 2001-07-17 US 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