SCHEMBL8985414

SCHEMBL8985414

N#COc1ccc(C(N)c2ccc(OC#N)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL17042294 0.81 PBRM1 (0.38) ALDH1A1GAA
SCHEMBL3225154 0.81 SLC2A1 (0.38) ALDH1A1GAA
SCHEMBL24787 0.80 CA1 (0.32) ALDH1A1CYP1A2
SCHEMBL139926 0.77 ESR1 (0.41) ALDH1A1GAACYP1A2
SCHEMBL21027532 0.77 ALDH1A1 (0.32) ALDH1A1GAA
SCHEMBL29913553 0.77 ESR1 (0.39) ALDH1A1GAACYP1A2
SCHEMBL27657818 0.77 MEN1 (0.38) ALDH1A1GAA
SCHEMBL31166667 0.76 ESR1 (0.39) ALDH1A1GAA
SCHEMBL3860095 0.74 ALDH1A1 (0.35) ALDH1A1GAA
SCHEMBL15224589 0.74 PBRM1 (0.38) ALDH1A1GAA

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
EP-0476589-B1 Multi-layer wiring substrate and production thereof HITACHI LTD (JP) 1996-06-12 — — EP disclosed
EP-0476589-A2 Multi-layer wiring substrate and production thereof HITACHI, LTD. (JP) 1992-03-25 — — EP disclosed
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