SCHEMBL9059516

SCHEMBL9059516

N#Cc1ccccc1C#N.c1ccc2c(c1)CCCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
CTNNB1 P35222 3/20 0.38
WNT3A P56704 3/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TSHR P16473 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
KMT2A Q03164 3/20 0.36
CRHBP P24387 2/20 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
Water SCHEMBL7527071 0.87 ITGB2 (0.50) ITGB2ICAM1ITGALCTNNB1WNT3A
Water SCHEMBL5189676 0.87 ITGB2 (0.50) ITGB2ICAM1ITGALCTNNB1WNT3A
Water SCHEMBL28924788 0.85 ITGB2 (0.48) ITGB2ICAM1ITGALCTNNB1WNT3A
Water SCHEMBL10710386 0.85 ITGB2 (0.48) ITGB2ICAM1ITGALCTNNB1WNT3A
Water SCHEMBL9277054 0.85 ITGB2 (0.48) ITGB2ICAM1ITGALCTNNB1WNT3A
Water SCHEMBL4887943 0.85 ITGB2 (0.48) ITGB2ICAM1ITGALCTNNB1WNT3A
Water SCHEMBL10710382 0.85 ITGB2 (0.48) ITGB2ICAM1ITGALCTNNB1WNT3A
Water SCHEMBL29063630 0.85 ITGB2 (0.48) ITGB2ICAM1ITGALCTNNB1WNT3A
SCHEMBL8447 0.85 ITGB2 (0.52) ITGB2ICAM1ITGALCTNNB1WNT3A
SCHEMBL29356442 0.85 ITGB2 (0.52) ITGB2ICAM1ITGALCTNNB1WNT3A

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
JP-8291162-A None JP disclosed
JP-H08291162-A PHTHALONITRILE-RELATING COMPOUND MITSUI TOATSU CHEM INC 1996-11-05 JP disclosed