SCHEMBL7066924

SCHEMBL7066924

CNNc1ccccc1CCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.38
▸ TAAR1 Q96RJ0 3/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.36
▸ BUB1 O43683 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RECQL P46063 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSPA5 P11021 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL932125 0.83 TDP1 (0.40) TAAR1TDP1TRPV1CA12CA2
SCHEMBL21930796 0.77 TDP1 (0.41) GAATDP1TRPV1BUB1CA12
SCHEMBL8283681 0.76 MEN1 (0.43) GAATDP1TRPV1CA12CA2
SCHEMBL7258705 0.75 ALDH1A1 (0.42) GAATAAR1TDP1TRPV1CA12
SCHEMBL21486443 0.75 PNMT (0.41) GAATAAR1ALDH1A1MAPT
SCHEMBL11100157 0.75 TDP1 (0.39) GAATDP1TRPV1BUB1CA12
SCHEMBL28341725 0.74 IDO1 (0.42) GAATDP1TRPV1BUB1CA12
SCHEMBL11558262 0.74 IDO1 (0.42) TDP1TRPV1CA12CA2CA9
SCHEMBL28814441 0.74 GAA (0.32) GAATAAR1CA12CA2CA9
SCHEMBL3492989 0.73 KDM4E (0.47) GAATDP1TRPV1CA12CA2

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-1313718-A2 INHIBITORS OF COPPER-CONTAINING AMINE OXIDASES Biotie Therapies Corp. (FI) 2003-05-28 — — EP disclosed
WO-2002002090-A2 INHIBITORS OF COPPER-CONTAINING AMINE OXIDASES BIOTIE THERAPIES CORP. (FI) 2002-01-10 — — WO disclosed
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