SCHEMBL8518743

SCHEMBL8518743

NCCNc1ccc(I)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.41
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ IDO1 P14902 3/20 0.38
▸ GAA P10253 1/20 0.37
▸ PRSS1 P07477 6/20 0.36
▸ APP P05067 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ F2 P00734 2/20 0.35
▸ PRSS2 P07478 2/20 0.35
▸ PRSS3 P35030 2/20 0.35
▸ TMPRSS6 Q8IU80 2/20 0.35
▸ ST14 Q9Y5Y6 2/20 0.35
▸ SIGMAR1 Q99720 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
SCHEMBL11528091 0.85 MAPT (0.55) MAPTCA1CA2IDO1GAA
SCHEMBL11934908 0.83 PRSS1 (0.47) MAPTGAAPRSS1ALDH1A1F2
SCHEMBL459767 0.78 APP (0.55) MAPTIDO1GAAPRSS1APP
SCHEMBL3005414 0.78 TAAR1 (0.46) MAPTIDO1GAAALDH1A1
Hydrochloric Acid SCHEMBL3027696 0.76 TAAR1 (0.44) MAPTIDO1PRSS1ALDH1A1
SCHEMBL3297792 0.76 MAPT (0.73) MAPTCA1CA2GAAALDH1A1
SCHEMBL8772822 0.76 MAPT (0.46) MAPTCA1CA2IDO1GAA
SCHEMBL3794887 0.76 ALDH1A1 (0.41) MAPTCA1CA2IDO1GAA
Bromide SCHEMBL11699530 0.76 APP (0.53) MAPTIDO1GAAPRSS1APP
SCHEMBL656024 0.76 STK17A (0.50) MAPTCA1CA2GAA

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-0912899-A1 ENHANCED CHROMATOGRAPHY USING MULTIPHOTON DETECTION Biotraces, Inc. (US) 1999-05-06 — — EP disclosed
WO-1998002750-A1 ENHANCED CHROMATOGRAPHY USING MULTIPHOTON DETECTION BIOTRACES, INC. (US) 1998-01-22 — — WO disclosed
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