SCHEMBL3282883

SCHEMBL3282883

c1ccc(C([N]C(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNN4 O15554 4/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ TSHR P16473 2/20 0.45
▸ MAPK1 P28482 1/20 0.39
▸ KIF11 P52732 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 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
SCHEMBL9439627 0.75 KCNN4 (0.42) KCNN4ALDH1A1TSHRMAPK1KIF11
SCHEMBL5079101 0.75 KCNN4 (0.41) KCNN4ALDH1A1TSHRMAPK1KIF11
SCHEMBL28642382 0.75 KCNN4 (0.41) KCNN4ALDH1A1TSHRMAPK1KIF11
SCHEMBL3227998 0.75 KCNN4 (0.48) KCNN4ALDH1A1TSHRMAPK1KIF11
SCHEMBL13889921 0.75 KCNN4 (0.41) KCNN4ALDH1A1TSHRMAPK1KIF11
SCHEMBL1203968 0.75 KCNN4 (0.41) KCNN4ALDH1A1TSHRMAPK1KIF11
SCHEMBL19056980 0.70 TSHR (0.37) KCNN4ALDH1A1TSHRPTPN1
SCHEMBL23665855 0.69 KCNN4 (0.36) KCNN4ALDH1A1TSHRMAPK1KIF11
SCHEMBL896502 0.69 MAPK1 (0.42) KCNN4ALDH1A1TSHRMAPK1KIF11
SCHEMBL491314 0.69 ALDH1A1 (0.52) KCNN4ALDH1A1TSHRMAPK1CYP1A2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709547-B2 Ink composition, inkjet recording method, printed material, production method of a planographic printing plate and planographic printing plate FUJIFILM CORPORATION (JP) 2010-05-04 — — US disclosed
EP-1787809-B1 Ink composition, inkjet recording method, printed material, production method of a planographic printing plate and planographic printing plate FUJIFILM CORP (JP) 2008-08-13 — — EP disclosed
EP-1917234-A1 TRITYLATION REACTIONS BASED ON METALLIC CATALYSIS Universita'Degli Studi di Roma "La Sapienza" (IT) 2008-05-07 — — EP disclosed
US-20070115326-A1 Ink composition, inkjet recording method, printed material, production method of a planographic printing plate and planographic printing plate FUJIFILM CORPORATION 2007-05-24 — — US disclosed
EP-1787809-A1 Ink composition, inkjet recording method, printed material, production method of a planographic printing plate and planographic printing plate Fujifilm Corporation (JP) 2007-05-23 — — EP disclosed
WO-2007009944-A1 TRITYLATION REACTIONS BASED ON METALLIC CATALYSIS Università degli Studi di Roma 'La Sapienza' (IT) 2007-01-25 — — WO disclosed
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