SCHEMBL8277600

SCHEMBL8277600

C=C(C)Nc1sc(C)c(C)c1C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AIP O00170 1/20 0.62
SGTA O43765 1/20 0.62
TOMM70 O94826 1/20 0.62
STIP1 P31948 1/20 0.62
PPP5C P53041 1/20 0.62
FKBP4 Q02790 1/20 0.62
PPID Q08752 1/20 0.62
FKBP5 Q13451 1/20 0.62
FKBP8 Q14318 1/20 0.62
TOMM34 Q15785 1/20 0.62
DNAJC7 Q99615 1/20 0.62
AIPL1 Q9NZN9 1/20 0.62
STUB1 Q9UNE7 1/20 0.62
KMT2A Q03164 3/20 0.60
ALDH1A1 P00352 10/20 0.57
MAPT P10636 6/20 0.57
HPGD P15428 4/20 0.57
HSD17B10 Q99714 2/20 0.57
APOBEC3G Q9HC16 1/20 0.57
RAB9A P51151 6/20 0.56

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
SCHEMBL11324603 0.86 AIP (0.66) AIPSGTATOMM70STIP1PPP5C
SCHEMBL11332843 0.78 AIP (0.60) AIPSGTATOMM70STIP1PPP5C
SCHEMBL4091316 0.76 ALDH1A1 (0.58) AIPSGTATOMM70STIP1PPP5C
SCHEMBL7003132 0.72 ALDH1A1 (0.64) AIPSGTATOMM70STIP1PPP5C
SCHEMBL13235107 0.71 KMT2A (0.78) AIPSGTATOMM70STIP1PPP5C
SCHEMBL7003934 0.71 ALDH1A1 (0.70) AIPSGTATOMM70STIP1PPP5C
SCHEMBL14364074 0.71 KMT2A (0.53) AIPSGTATOMM70STIP1PPP5C
SCHEMBL18180597 0.70 L3MBTL1 (0.66) AIPSGTATOMM70STIP1PPP5C
SCHEMBL7902809 0.70 GRIN2C (1.00) AIPSGTATOMM70STIP1PPP5C
SCHEMBL7002920 0.70 AIP (0.70) AIPSGTATOMM70STIP1PPP5C

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-1740551-B9 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL (JP) 2013-01-16 EP disclosed
WO-2005105760-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-10 WO disclosed