SCHEMBL7159181

SCHEMBL7159181

O=C(Nc1ccc(NC(=S)Nc2cc[c]c(Cl)c2)cc1)c1ccco1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.58
NPC1 O15118 5/20 0.58
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
HPGD P15428 2/20 0.54
ALOX15 P16050 1/20 0.54
ALOX12 P18054 1/20 0.54
MAPT P10636 3/20 0.54
POLB P06746 2/20 0.54
PTPN2 P17706 1/20 0.53
PTPN1 P18031 1/20 0.53
PTPN6 P29350 1/20 0.53
PTPN11 Q06124 1/20 0.53

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
SCHEMBL7848327 0.81 RAB9A (0.69) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL7778713 0.80 RAB9A (0.67) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL7678628 0.80 RAB9A (0.56) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL7848400 0.80 RAB9A (0.66) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL7662848 0.79 RAB9A (0.81) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6816359 0.78 ALDH1A1 (0.67) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7162996 0.78 ALDH1A1 (0.67) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7162261 0.78 ALDH1A1 (0.79) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7162313 0.77 MEN1 (0.86) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL7165655 0.77 ALDH1A1 (0.77) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6555561-B2 N-(5-((((5-Chloro-2,4-dimethoxyphenyl)amino)thioxomethyl)-amino)-2 -pyridinyl)-2-methylbenzamide, for example; inhibiting replication of a herpes virus WYETH 2003-04-29 US disclosed
US-6462055-B2 VIRICIDES WYETH 2002-10-08 US disclosed
US-6410571-B1 VIRICIDES AMERICAN HOME PRODUCTS CORPORATION 2002-06-25 US disclosed
US-6407123-B1 VIRICIDES FOR TREATMENT OF HUMAN CYTOMEGALO, EPSTEIN-BARR, VARICELLA-ZOSTER AND KAPOSI*S HERPES VIRAL INFECTIONS AMERICAN HOME PRODUCTS CORPORATION 2002-06-18 US disclosed
US-6403617-B1 INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMANHERPESVIRUSES-6 AND -7, AND KAPOSI HERPESVIRUS AMERICAN HOME PRODUCTS CORP. 2002-06-11 US disclosed
US-6380243-B1 INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES- 6 AND -7, AND KAPOSI HERPESVIRUS. AMERICAN HOME PRODUCTS CORPORATION 2002-04-30 US disclosed
US-6271236-B1 PHENYL UREAS/THIOUREAS AS INHIBITORS OF INOSINE MONOPHOSPHATE DEHYDROGENASE ENZYME, USEFUL IN TREATING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, AND VARICELLA-ZOSTER VIRUS WYETH 2001-08-07 US disclosed
US-6255349-B1 PREVENTION REPRODUCTION; VIRICIDES AMERICAN HOME PRODUCTS CORPORATION 2001-07-03 US disclosed