SCHEMBL13634345

SCHEMBL13634345

O=C(O)c1csc(N2CCCC(F)(F)C2)n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 9/20 0.45
OGA O60502 1/20 0.41
LDHA P00338 6/20 0.41
CRBN Q96SW2 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL13162312 0.86 KDM4E (0.44) PTGER1OGALDHAKDM4EALDH1A1
SCHEMBL13162578 0.83 OGA (0.46) PTGER1OGALDHACRBNKDM4E
SCHEMBL15888627 0.82 OGA (0.48) OGACRBNKDM4EALDH1A1GAA
SCHEMBL3435648 0.81 PTGER1 (0.56) PTGER1OGALDHAKDM4EALDH1A1
SCHEMBL3435678 0.79 PTGER1 (0.59) PTGER1OGALDHAKDM4EALDH1A1
SCHEMBL13634338 0.74 OGA (0.41) OGASMN1; SMN2
SCHEMBL3435714 0.74 PTGER1 (0.46) PTGER1OGALDHAKDM4EALDH1A1
SCHEMBL3435749 0.74 PTGER1 (0.46) PTGER1OGALDHAKDM4EALDH1A1
SCHEMBL13634273 0.73 RIPK1 (0.34)
SCHEMBL2770015 0.73 DNM1L (0.46) PTGER1OGALDHAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed