SCHEMBL3362479

SCHEMBL3362479

CC(C)(C)Sc1ccncc1CSC(CNC(=O)O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 19/20 0.36
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL3076690 0.84 CYP3A4 (0.33) SLC22A12
SCHEMBL3209179 0.84 KDM6B (0.32) SLC22A12
SCHEMBL3081184 0.77 CHRM2 (0.31) SLC22A12
SCHEMBL3078934 0.68 SLC22A12 (0.43) SLC22A12
SCHEMBL3089379 0.68 SSTR4 (0.33)
SCHEMBL3089405 0.67 IDO1 (0.41) TDP1
SCHEMBL3362475 0.67 SLC22A12 (0.36) SLC22A12
SCHEMBL3080335 0.66 AOC3 (0.40) SLC22A12
SCHEMBL4755993 0.64 SLC22A12 (0.48) SLC22A12TDP1
SCHEMBL29888813 0.61 CYP2D6 (0.46)

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
US-8445476-B2 Carbacephem β-lactam antibiotics ACHAOGEN, INC. (US) 2013-05-21 US disclosed
WO-2010030811-A2 CARBACEPHEM β-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-03-18 WO disclosed