SCHEMBL17058347

SCHEMBL17058347

CC(C)(C)[SH](C)(=O)N1CCN(c2cnn(-c3cccc(F)c3)c(=O)c2OC2CCc3ccccc3CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 5/20 0.40
▸ TP53 P04637 2/20 0.37
▸ POLB P06746 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ NPBWR1 P48145 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ SLC2A1 P11166 1/20 0.36
▸ SLC2A3 P11169 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ NCOA2 Q15596 1/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PKM P14618 1/20 0.35

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
SCHEMBL11944478 0.84 POLB (0.43) HPGDSTP53POLBSMN1; SMN2LMNA
SCHEMBL14899792 0.84 HPGDS (0.40) HPGDSTP53POLBSMN1; SMN2LMNA
SCHEMBL11944440 0.80 ALDH1A1 (0.49) HPGDSTP53POLBSMN1; SMN2LMNA
SCHEMBL17057798 0.79 HTR2C (0.40) HPGDSTP53POLBSMN1; SMN2LMNA
SCHEMBL17057965 0.78 SLC2A1 (0.34) HPGDSPOLBSMN1; SMN2LMNANPBWR1
SCHEMBL11944509 0.77 ALDH1A1 (0.49) HPGDSPOLBSMN1; SMN2LMNANPBWR1
SCHEMBL17058075 0.77 SMN1; SMN2 (0.36) HPGDSTP53POLBSMN1; SMN2LMNA
SCHEMBL17058341 0.76 HTR2C (0.38) TP53POLBSMN1; SMN2LMNANPBWR1
SCHEMBL11944875 0.76 POLB (0.45) HPGDSTP53POLBSMN1; SMN2LMNA
SCHEMBL17058371 0.76 ALDH1A1 (0.42) HPGDSTP53POLBSMN1; SMN2LMNA

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
EP-2137179-B1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2015-09-02 — — EP disclosed
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