SCHEMBL11297309

SCHEMBL11297309

C=C[CH]N1CCN=C1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 2/20 0.39
▸ GAA P10253 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA4 P22748 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ LMNA P02545 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ THRB P10828 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
SCHEMBL94431 0.86 PTAFR (0.41) PTAFRGAAALDH1A1RECQLCA1
SCHEMBL122260 0.68 ADORA3 (0.46) PTAFRGAAALDH1A1RECQLCA1
SCHEMBL5121302 0.68 CA1 (0.66) PTAFRCA1CA2CA4CA7
SCHEMBL28172958 0.68 CA1 (0.49) PTAFRGAAALDH1A1RECQLCA1
SCHEMBL29039568 0.68 PTAFR (0.44) PTAFRGAAALDH1A1RECQLCA1
Hydrochloric Acid SCHEMBL1697524 0.67 CA1 (0.64) PTAFRCA1CA2CA4CA7
SCHEMBL9636319 0.66 GAA (0.44) PTAFRGAAALDH1A1RECQLCA1
SCHEMBL10365364 0.66 TOP2A (0.47) PTAFRGAAALDH1A1RECQLCA1
SCHEMBL12562435 0.64 GAA (0.47) PTAFRGAAALDH1A1RECQLCA1
SCHEMBL8936614 0.64 MEN1 (0.58) PTAFRGAAALDH1A1RECQLCA1

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
US-4334070-A NEUROLEPTIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1982-06-08 — — US claimed
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