SCHEMBL7480244

SCHEMBL7480244

O=C(C=Cc1ccccc1)Nc1nnc(NCCCN2CCCC2=O)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
ITGB2 P05107 3/20 0.45
ICAM1 P05362 3/20 0.45
ITGAL P20701 3/20 0.45
TSHR P16473 1/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MALT1 Q9UDY8 1/20 0.43
RAB9A P51151 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
BTK Q06187 1/20 0.42
MEN1 O00255 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
OPRL1 P41146 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL7480234 1.00 HDAC1 (0.46) HDAC1HDAC8ITGB2ICAM1ITGAL
SCHEMBL7483535 0.87 ITGB2 (0.51) ITGB2ICAM1ITGALKMT2AGAA
SCHEMBL7483528 0.87 ITGB2 (0.51) ITGB2ICAM1ITGALKMT2AGAA
SCHEMBL7480451 0.81 HSP90AA1 (0.49) KMT2AALDH1A1MAPTRAB9AMEN1
SCHEMBL7480459 0.81 HSP90AA1 (0.49) KMT2AALDH1A1MAPTRAB9AMEN1
SCHEMBL7480813 0.78 MMP1 (0.55) HDAC1KMT2AALDH1A1RAB9AMEN1
SCHEMBL7480810 0.78 MMP1 (0.55) HDAC1KMT2AALDH1A1RAB9AMEN1
SCHEMBL7835345 0.78 MMP1 (0.52) HDAC1HDAC8KMT2AALDH1A1RAB9A
SCHEMBL7481651 0.77 ALDH1A1 (0.54) HDAC1ITGB2ICAM1ITGALKMT2A
SCHEMBL7481659 0.77 ALDH1A1 (0.54) HDAC1ITGB2ICAM1ITGALKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1064273-B1 1,3,4-THIADIAZOLES USEFUL FOR THE TREATMENT OF CMV INFECTIONS UPJOHN CO (US) 2002-12-18 EP claimed
US-6150385-A VIRICIDE WITH ACTIVITY AGAINST CYTOMEGALO VIRUS (CMV), HERPES VIRUS INCLUDING VARICELLA ZOSTER VIRUS, THE EPSTEIN-BARR VIRUS, THE HERPES SIMPLEX VIRUS, AND THE HUMAN HERPES VIRUS TYPE 8 (HHV-8) PHARMACIA & UPJOHN COMPANY (US) 2000-11-21 US claimed
EP-1064273-B1 1,3,4-THIADIAZOLES USEFUL FOR THE TREATMENT OF CMV INFECTIONS UPJOHN CO (US) 2002-12-18 EP disclosed