SCHEMBL27870396

SCHEMBL27870396

CC(C(=O)C(C)c1csc(Cn2ncc([N+](=O)[O-])n2)n1)c1csc(Cn2ncc([N+](=O)[O-])n2)n1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
GAA P10253 3/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DPP4 P27487 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
SCHEMBL1703731 0.81 MAPT (0.38) LMNAGAAALDH1A1SMN1; SMN2
SCHEMBL27832762 0.81 FPR2 (0.36)
SCHEMBL27853597 0.79 RAB9A (0.35) LMNAGAAALDH1A1SMN1; SMN2
SCHEMBL27828605 0.79 KMT2A (0.41) LMNAGAAALDH1A1
SCHEMBL9900065 0.78 RAB9A (0.38) LMNAGAAALDH1A1SMN1; SMN2
SCHEMBL27917120 0.78 KMT2A (0.32) LMNAALDH1A1SMN1; SMN2
SCHEMBL27917123 0.78 HSD17B10 (0.40) LMNAGAAALDH1A1SMN1; SMN2
SCHEMBL27917153 0.77 TXNRD1 (0.33)
SCHEMBL9900188 0.75 MAPT (0.31) ALDH1A1
SCHEMBL1703930 0.75 MEN1 (0.31) ALDH1A1

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
CN-102414207-B Fluorinated aminotriazole derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2015-09-30 CN disclosed
CN-102414207-A Fluorinated aminotriazole derivatives ACTELION PHARMACEUTICALS LTD 2012-04-11 CN disclosed