SCHEMBL7722492

SCHEMBL7722492

CCCSc1ncn2cc(C3=C(C(=O)OCc4ccc([N+](=O)[O-])cc4)N4C(=O)[C@H]([C@@H](C)O)[C@H]4C3)sc12

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.37
PLCG1 P19174 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
HTR2A P28223 1/20 0.31
RAB9A P51151 1/20 0.31
PAX8 Q06710 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NPC1 O15118 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7722341 0.95 ELANE (0.41) ELANEPLCG1L3MBTL1HTR2ARAB9A
SCHEMBL7730782 0.92 L3MBTL1 (0.41) ELANEPLCG1L3MBTL1HTR2ARAB9A
SCHEMBL7722544 0.91 PLCG1 (0.36) ELANEPLCG1L3MBTL1HTR2ARAB9A
SCHEMBL7729957 0.89 PLCG1 (0.39) ELANEPLCG1L3MBTL1RAB9APAX8
SCHEMBL8195485 0.88 PLCG1 (0.37) ELANEPLCG1L3MBTL1HTR2ARAB9A
SCHEMBL7722500 0.88 PLCG1 (0.37) ELANEPLCG1L3MBTL1HTR2AALDH1A1
SCHEMBL7731889 0.87 ELANE (0.37) ELANEPLCG1L3MBTL1HTR2A
SCHEMBL6624626 0.87 KDM4E (0.34) ELANEPLCG1KDM4ELMNA
SCHEMBL7722332 0.87 PLCG1 (0.37) ELANEPLCG1L3MBTL1HTR2AALDH1A1
SCHEMBL7730502 0.86 PLCG1 (0.36) ELANEPLCG1L3MBTL1HTR2AALDH1A1

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