SCHEMBL7646586

SCHEMBL7646586

S=C(NCCSc1ccccc1)NC1=CC[CH]C=C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.50
LMNA P02545 10/20 0.50
HTT P42858 9/20 0.50
ALOX12 P18054 8/20 0.50
MEN1 O00255 8/20 0.50
KMT2A Q03164 8/20 0.50
ALDH1A1 P00352 7/20 0.44
MAPK1 P28482 3/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL7661945 0.86 HTT (0.38) MAPTLMNAHTTALOX12MEN1
SCHEMBL7912025 0.82 ALOX12 (0.43) MAPTLMNAHTTALOX12MEN1
SCHEMBL7908201 0.80 SMN1; SMN2 (0.47) MAPTLMNAALOX12MEN1KMT2A
SCHEMBL7981937 0.78 MAOA (0.54) MAPTLMNAHTTALOX12MEN1
SCHEMBL7979005 0.74 ALDH1A1 (0.55) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL7594773 0.71 MAPT (0.52) MAPTLMNAHTTALOX12MEN1
SCHEMBL7599729 0.71 RAB9A (0.51) MAPTLMNAALOX12MEN1KMT2A
SCHEMBL7644626 0.70 DRD2 (0.43) MAPTLMNAHTTALOX12MEN1
SCHEMBL7641142 0.70 NPC1 (0.58) MAPTLMNAHTTALOX12MEN1
SCHEMBL7642827 0.70 ALDH1A1 (0.53) MAPTLMNAHTTALOX12MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1137647-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP 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
WO-2000034268-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed