SCHEMBL5213876

SCHEMBL5213876

Cc1c(C(=O)c2cnn(C(C)(C)C)c2O)ccc(S(C)(=O)=O)c1C1=NOC(CCl)C1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.33
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL7230119 0.90 NPC1 (0.31) MIFNPC1RAB9A
SCHEMBL6969239 0.81
SCHEMBL6677226 0.80 NPC1 (0.37) MIFNPC1RAB9A
SCHEMBL5221926 0.80 MIF (0.37) MIFNPC1RAB9A
SCHEMBL5221919 0.78
SCHEMBL7059813 0.78 NPC1 (0.30) NPC1RAB9A
SCHEMBL12446690 0.77
SCHEMBL7948205 0.76 MELK (0.33)
SCHEMBL7949475 0.75 MELK (0.34)
SCHEMBL7142215 0.74

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-1286991-B1 CYCLOPROPYL-ANELLATED 3-(4,5-DIHYDROISOXAZOL-3-YL)-SUBSTITUED BENZOYLPYRAZOLES BASF AG (DE) 2007-06-06 EP disclosed
US-6627581-B1 Herbicide; acylating a pyrazole with a benzoic acid derivative BASF AKTIENGESELLSCHAFT (DE) 2003-09-30 US disclosed