SCHEMBL8076316

SCHEMBL8076316

C=CC[N+](=C=Nc1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL19733116 0.80 MIF (0.41) MIFALDH1A1TDP1
SCHEMBL4045851 0.67 ALDH1A1 (0.33) ALDH1A1MAPT
SCHEMBL11649668 0.67 ALDH1A1 (0.33) ALDH1A1
SCHEMBL5729478 0.66 ALDH1A1 (0.36) ALDH1A1TDP1
SCHEMBL9818046 0.66 ALDH1A1 (0.36) ALDH1A1TDP1
SCHEMBL2363937 0.65 ALDH1A1 (0.35) ALDH1A1
SCHEMBL11652322 0.63 ALDH1A1 (0.33) ALDH1A1MAPT
SCHEMBL9298312 0.63 ALDH1A1 (0.32) ALDH1A1MAPT
SCHEMBL8083518 0.63 MIF (0.40) MIFALDH1A1MAPT
SCHEMBL3923802 0.63 MIF (0.40) MIFALDH1A1

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-1044981-A1 Stabilized composition containing phosphorus compounds BASF AKTIENGESELLSCHAFT (DE) 2000-10-18 — — EP disclosed
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