Sugi Predict

Sugi Predict / Compounds / SCHEMBL4051371

SCHEMBL4051371

SCHEMBL4051371

COC(=O)c1nn(CCCCC(F)(F)F)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 7/20 0.51
▸ CNR2 P34972 5/20 0.51
▸ HTR3A P46098 5/20 0.49
▸ ELANE P08246 7/20 0.49
▸ PLAU P00749 4/20 0.49
▸ F2 P00734 3/20 0.49
▸ PARP1 P09874 1/20 0.40

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
SCHEMBL29805307 0.91 ELANE (0.52) CNR1CNR2HTR3AELANEPLAU
SCHEMBL4050608 0.85 CNR1 (0.52) CNR1CNR2HTR3AELANEPLAU
SCHEMBL17287279 0.85 CNR1 (0.60) CNR1CNR2HTR3AELANEPLAU
SCHEMBL3071892 0.83 ELANE (0.53) CNR1CNR2HTR3AELANEPLAU
SCHEMBL31429235 0.81 ELANE (0.57) CNR1CNR2HTR3AELANEPLAU
SCHEMBL31429292 0.80 ELANE (0.56) CNR1CNR2HTR3AELANEPLAU
SCHEMBL3065175 0.80 ELANE (0.50) CNR1CNR2HTR3AELANEPLAU
SCHEMBL4049633 0.80 ELANE (0.50) CNR1CNR2HTR3AELANEPLAU
SCHEMBL19127307 0.79 ESR1 (0.42) HTR3AELANEPLAUF2
SCHEMBL26204710 0.78 ELANE (0.59) HTR3AELANEPLAUF2

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
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 — — WO disclosed
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 — — WO disclosed