SCHEMBL10668382

SCHEMBL10668382

CCc1ccc(NC(C)=N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.52
▸ RAB9A P51151 8/20 0.50
▸ GRIN2D O15399 1/20 0.50
▸ GRIN3B O60391 1/20 0.50
▸ GRIN1 Q05586 1/20 0.50
▸ GRIN2A Q12879 1/20 0.50
▸ GRIN2B Q13224 1/20 0.50
▸ GRIN2C Q14957 1/20 0.50
▸ GRIN3A Q8TCU5 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.50
▸ NPC1 O15118 4/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL6155127 0.84 SRC (0.53) SRCRAB9AGRIN2DGRIN3BGRIN1
SCHEMBL10668375 0.83 TSHR (0.38) SRCRAB9AGRIN2DGRIN3BGRIN1
SCHEMBL3772999 0.81 GRIN2D (0.58) SRCRAB9AGRIN2DGRIN3BGRIN1
SCHEMBL14445095 0.81 TSHR (0.37) SRCRAB9AGRIN2DGRIN3BGRIN1
SCHEMBL10788753 0.81 SRC (0.50) SRCRAB9AGRIN2DGRIN3BGRIN1
SCHEMBL7877522 0.81 LOXL2 (0.47) PLGPLAUPLATKLKB1PRSS1
SCHEMBL14542726 0.79 SRC (0.49) SRCRAB9AGRIN2DGRIN3BGRIN1
SCHEMBL21386360 0.78 SRC (0.52) SRCRAB9AGRIN2DGRIN3BGRIN1
SCHEMBL10092552 0.78 RAB9A (0.58) SRCRAB9AGRIN2DGRIN3BGRIN1
SCHEMBL155297 0.78 RAB9A (0.64) SRCRAB9ANPC1SMN1; SMN2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4743687-A HYPOTENSIVE AGENTS HOFFMANN-LA ROCHE INC. (US) 1988-05-10 — — US disclosed
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