SCHEMBL13934005

SCHEMBL13934005

C#CC[n+]1ccc(-c2cc[n+](CC#C)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CHRNA7 P36544 2/20 0.32
▸ CHRNA10 Q9GZZ6 2/20 0.32
▸ CHRNA9 Q9UGM1 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ CHKA P35790 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
SCHEMBL9716874 0.74 MEN1 (0.38) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL1641231 0.72 — —
SCHEMBL6777067 0.65 — —
SCHEMBL13561372 0.64 CHKA (0.49) KDM4ERAB9AALDH1A1CHKA
SCHEMBL19946631 0.64 MEN1 (0.54) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL1305882 0.63 MEN1 (0.54) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL2609277 0.63 MEN1 (0.42) MEN1TP53CYP1A2CYP2D6MAPT
Iodide SCHEMBL3377972 0.61 KDM4E (0.56) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL10593608 0.61 MEN1 (0.46) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL3211312 0.61 MEN1 (0.65) MEN1TP53CYP1A2CYP2D6MAPT

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-7488572-B2 Image formation method FUJIFILM CORPORATION (JP) 2009-02-10 — — US disclosed
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