SCHEMBL6963068

SCHEMBL6963068

CC(C)(C)[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)Nc1n[nH]c(=S)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 2/20 0.48
PKM P14618 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 2/20 0.48
GLA P06280 1/20 0.46
MEN1 O00255 2/20 0.44
STAT3 P40763 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MMP3 P08254 8/20 0.44
MMP1 P03956 4/20 0.44
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43

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
SCHEMBL6958491 0.78 MMP3 (0.58) MAPTPOLBALDH1A1PKMLMNA
SCHEMBL6958497 0.78 MMP3 (0.58) MAPTPOLBALDH1A1PKMLMNA
SCHEMBL6961609 0.77 MMP3 (0.53) MAPTSMN1; SMN2MMP3MMP1MMP2
SCHEMBL6957936 0.77 MMP3 (0.53) MAPTSMN1; SMN2MMP3MMP1MMP2
SCHEMBL6956501 0.75 MMP3 (0.69) MMP3MMP1MMP2MMP9MMP8
SCHEMBL8708865 0.75 MMP3 (0.46) MAPTPOLBALDH1A1PKMLMNA
SCHEMBL6957803 0.72 MMP3 (0.55) MAPTPOLBALDH1A1PKMLMNA
SCHEMBL1851026 0.71 KDM4E (0.56) MAPTPOLBALDH1A1PKMCYP1A2
SCHEMBL6968360 0.70 MMP3 (0.53) MMP3MMP1MMP2
SCHEMBL7335361 0.70 CDK4 (0.48) MAPTALDH1A1MEN1KMT2ASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021424-B1 THIADIAZOLE AMIDE MMP INHIBITORS UPJOHN CO (US) 2003-02-26 EP claimed
EP-1021424-A1 THIADIAZOLE AMIDE MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2000-07-26 EP claimed
WO-1997048688-A1 THIADIAZOLE AMIDE MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1997-12-24 WO claimed
EP-1021424-B1 THIADIAZOLE AMIDE MMP INHIBITORS UPJOHN CO (US) 2003-02-26 EP disclosed
EP-1021424-A1 THIADIAZOLE AMIDE MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2000-07-26 EP disclosed
WO-1997048688-A1 THIADIAZOLE AMIDE MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1997-12-24 WO disclosed