SCHEMBL8782103

SCHEMBL8782103

C/N=C/c1ccc(C(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.55
GRIN3B O60391 2/20 0.55
GRIN1 Q05586 2/20 0.55
GRIN2A Q12879 2/20 0.55
GRIN2B Q13224 2/20 0.55
GRIN2C Q14957 2/20 0.55
GRIN3A Q8TCU5 2/20 0.55
AMY1A P0DUB6 1/20 0.53
PKM P14618 1/20 0.53
CA2 P00918 5/20 0.47
CA1 P00915 3/20 0.47
ESRRG P62508 3/20 0.46
CYP1A2 P05177 1/20 0.45
MAPT P10636 3/20 0.45
HTT P42858 2/20 0.45
RAB9A P51151 2/20 0.45
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.44
MITF O75030 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL25094429 1.00 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8782107 1.00 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22389454 0.82 SMN1; SMN2 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2205545 0.79 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21882630 0.79 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9507246 0.79 LMNA (0.49) CYP1A2MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL2205548 0.79 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7235334 0.79 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9507242 0.79 LMNA (0.49) CYP1A2MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL22851446 0.78 CA1 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0495610-B1 Tetrahydroisoquinoline derivatives, processes for producing the same and fungicides containing the same TOSOH CORP (JP) 1997-06-18 EP disclosed
US-5401752-A EFFECTIVE AGAINST DRUG RESISTANT FUNGI TOSOH CORPORATION (JP) 1995-03-28 US disclosed
EP-0495610-A1 Tetrahydroisoquinoline derivatives, processes for producing the same and fungicides containing the same TOSOH CORPORATION (JP) 1992-07-22 EP disclosed