SCHEMBL7485286

SCHEMBL7485286

CN1CCN(CCCNc2nnc(NC(=O)/C=C/c3ccccc3Cl)s2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.51
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
POLB P06746 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
SMN1; SMN2 Q16637 7/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
RAB9A P51151 8/20 0.43
NPC1 O15118 6/20 0.43
LMNA P02545 1/20 0.43
MAOB P27338 1/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
CYP1A2 P05177 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
SCHEMBL7485298 1.00 MAPT (0.51) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL7484285 0.87 CYP3A4 (0.53) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL7485346 0.87 CYP3A4 (0.53) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL7483528 0.83 ITGB2 (0.51) MAPTMEN1KMT2APOLBCYP3A4
SCHEMBL7483535 0.83 ITGB2 (0.51) MAPTMEN1KMT2APOLBCYP3A4
SCHEMBL7477866 0.82 MAPT (0.50) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL7477878 0.82 MAPT (0.50) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL7483102 0.81 ITGB2 (0.51) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL7485237 0.81 ITGB2 (0.51) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL7485669 0.80 RAB9A (0.56) MAPTMEN1KMT2APOLBCYP3A4

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 5 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
EP-1064273-A2 1,3,4-THIADIAZOLES USEFUL FOR THE TREATMENT OF CMV INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2001-01-03 EP disclosed
WO-1999047507-A2 1,3,4-THIADIAZOLES USEFUL FOR THE TREATMENT OF CMV INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1999-09-23 WO disclosed