SCHEMBL7729305

SCHEMBL7729305

Cc1nc(C(=O)CO[Si](C)(C)C(C)(C)C)c2sc(C3=C(C(=O)OCc4ccc([N+](=O)[O-])cc4)N4C(=O)[C@H]([C@@H](C)O)[C@H]4C3)cn12

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.35
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
ELANE P08246 2/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7729156 0.90 PLCG1 (0.38) PLCG1LMNAALDH1A1MAPTHPGD
SCHEMBL7722380 0.89 PLCG1 (0.34) PLCG1NPC1KMT2AELANEPOLB
SCHEMBL7728186 0.89 PLCG1 (0.38) PLCG1LMNAALDH1A1MAPTHPGD
SCHEMBL7729413 0.88 PLCG1 (0.33) PLCG1LMNAELANEPOLBSMN1; SMN2
SCHEMBL7722252 0.84 PLCG1 (0.38) PLCG1ALDH1A1MAPTHPGDNPC1
SCHEMBL7722624 0.84 L3MBTL1 (0.39) PLCG1ALDH1A1MAPTHPGDNPC1
SCHEMBL6891557 0.84 KDM4E (0.35) LMNA
SCHEMBL7722339 0.84 PLCG1 (0.34) PLCG1NPC1KMT2AELANE
SCHEMBL7729351 0.84 PLCG1 (0.38) PLCG1ALDH1A1MAPTHPGDNPC1
SCHEMBL7722523 0.79 L3MBTL1 (0.39) PLCG1ALDH1A1MAPTHPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6458780-B1 IMIDAZO(5,1-B)THIAZOLE GROUP AT THE 2-POSITION ON THE CARBAPENEM RING HAVE HIGH ANTI-MICROBIAL ACTIVITIES AGAINST .BETA.-LACTAMASE PRODUCING BACTERIA, MRSA, RESISTANT-PSEUDOMONAS AERUGINOSA, PRSP, ENTEROCOCCI, AND MEIJI SEIKA KAISHA, LTD. (JP) 2002-10-01 US disclosed