SCHEMBL17057942

SCHEMBL17057942

CN1CCN(c2cnn(-c3cc(F)cc(F)c3)c(=O)c2OC2CCC(F)C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SLC2A1 P11166 2/20 0.36
▸ SLC2A3 P11169 2/20 0.36
▸ TP53 P04637 2/20 0.35
▸ ALDH1A1 P00352 5/20 0.33
▸ CYP3A4 P08684 3/20 0.33
▸ CYP1A2 P05177 3/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CASP1 P29466 2/20 0.33
▸ CASP7 P55210 2/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ NCOA2 Q15596 1/20 0.33
▸ NCOA1 Q15788 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL17058415 0.90 SLC2A1 (0.37) POLBSMN1; SMN2LMNAKMT2ASLC2A1
SCHEMBL11945844 0.89 ALDH1A1 (0.46) POLBSMN1; SMN2LMNAKMT2ASLC2A1
SCHEMBL11945843 0.89 ALDH1A1 (0.46) POLBSMN1; SMN2LMNAKMT2ASLC2A1
SCHEMBL17058083 0.88 HTR1A (0.35) POLBSMN1; SMN2LMNAKMT2ASLC2A1
SCHEMBL17058078 0.88 HTR1A (0.35) POLBSMN1; SMN2LMNAKMT2ASLC2A1
SCHEMBL14899749 0.88 SMN1; SMN2 (0.45) POLBSMN1; SMN2LMNAKMT2ASLC2A1
SCHEMBL11944360 0.87 CYP3A4 (0.38) POLBSLC2A1SLC2A3ALDH1A1CYP3A4
SCHEMBL11944476 0.86 SLC2A1 (0.33) POLBSMN1; SMN2LMNAKMT2ASLC2A1
SCHEMBL11944477 0.86 POLB (0.37) POLBSMN1; SMN2LMNAKMT2ASLC2A1
SCHEMBL11945849 0.86 POLB (0.37) POLBSMN1; SMN2LMNAKMT2ASLC2A1

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
Send feedback