SCHEMBL3688018

SCHEMBL3688018

COc1cc(Cl)c(C(C)(C)C#N)cc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.37
▸ GRIN3B O60391 1/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2A Q12879 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ GRIN2C Q14957 1/20 0.37
▸ GRIN3A Q8TCU5 1/20 0.37
▸ AXL P30530 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ HTR2A P28223 8/20 0.33
▸ HTR2C P28335 3/20 0.33
▸ TAAR1 Q96RJ0 3/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ PIM1 P11309 1/20 0.32
▸ EGFR P00533 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ PKM P14618 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
SCHEMBL3692943 0.79 PTPN1 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3993984 0.77 GRIN2D (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3692285 0.75 PRKDC (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL26607044 0.75 — —
SCHEMBL23420910 0.73 ALOX15 (0.45) TSHRMAPTALDH1A1
SCHEMBL2129737 0.73 KDM4E (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29663687 0.72 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21404002 0.72 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19709407 0.70 GAA (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4573303 0.70 PYCR1 (0.37) TSHRMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642367-B2 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2010-01-05 — — US disclosed
US-20060235073-A1 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2006-10-19 — — US disclosed
US-20060052600-A1 Amino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2006-03-09 — — US disclosed
EP-1506157-A2 AMINO-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-02-16 — — EP disclosed
EP-1506158-A2 DIAMINO-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-02-16 — — EP disclosed
WO-2003097576-A2 DIAMINO-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 — — WO disclosed
WO-2003097575-A2 AMINO-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 — — WO disclosed
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