SCHEMBL7835345

SCHEMBL7835345

O=C(C=Cc1ccccc1)Nc1nnc(NCCCc2ccccc2)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.52
MMP2 P08253 3/20 0.52
MMP9 P14780 3/20 0.52
POLB P06746 1/20 0.52
RECQL P46063 1/20 0.52
GLS O94925 1/20 0.52
LMNA P02545 4/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC4 P56524 3/20 0.50
HDAC3 O15379 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
FSCN1 Q16658 1/20 0.49
KMT2A Q03164 4/20 0.48

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
SCHEMBL7483307 0.97 MMP1 (0.51) MMP1MMP2MMP9POLBRECQL
SCHEMBL7483298 0.97 MMP1 (0.51) MMP1MMP2MMP9POLBRECQL
SCHEMBL7481131 0.93 MMP1 (0.58) MMP1MMP2MMP9POLBRECQL
SCHEMBL7481144 0.93 MMP1 (0.58) MMP1MMP2MMP9POLBRECQL
SCHEMBL7487114 0.85 EGFR (0.60) GLSLMNAHDAC1HDAC3HDAC2
SCHEMBL7487107 0.85 EGFR (0.60) GLSLMNAHDAC1HDAC3HDAC2
SCHEMBL7488537 0.84 FSCN1 (0.52) MMP1MMP2MMP9GLSLMNA
SCHEMBL7480810 0.84 MMP1 (0.55) MMP1MMP2MMP9GLSLMNA
SCHEMBL7480813 0.84 MMP1 (0.55) MMP1MMP2MMP9GLSLMNA
SCHEMBL7488527 0.84 FSCN1 (0.52) MMP1MMP2MMP9GLSLMNA

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

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