SCHEMBL10876444

SCHEMBL10876444

N#Cc1cc(C#N)c([N+](=O)[O-])c(C#N)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 5/20 0.63
▸ GRIN2D O15399 2/20 0.41
▸ GRIN3B O60391 2/20 0.41
▸ GRIN1 Q05586 2/20 0.41
▸ GRIN2A Q12879 2/20 0.41
▸ GRIN2B Q13224 2/20 0.41
▸ GRIN2C Q14957 2/20 0.41
▸ GRIN3A Q8TCU5 2/20 0.41
▸ MAPT P10636 3/20 0.41
▸ GRIA1 P42261 2/20 0.41
▸ GRIA2 P42262 2/20 0.41
▸ GRIA3 P42263 2/20 0.41
▸ GRIA4 P48058 2/20 0.41
▸ GRM6 O15303 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ XDH P47989 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HPGD P15428 1/20 0.40

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
SCHEMBL25786821 0.81 GRIN2D (0.47) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1005421 0.77 VCAM1 (1.00) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL309612 0.77 VCAM1 (0.55) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25791193 0.76 VCAM1 (0.41) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3237039 0.76 ALDH1A1 (0.46) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28649780 0.75 VCAM1 (0.49) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28490634 0.75 VCAM1 (0.58) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10879384 0.74 VCAM1 (0.47) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4385438 0.74 VCAM1 (0.61) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7090977 0.73 VCAM1 (0.91) VCAM1GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4448940-A POLYOXAZOLINES BASED ON DINITRILES AND DIEPOXY COMPOUNDS; POLYISOCYANURATE; FLEXIBILITY; PRINTED CIRCUITS HITACHI, LTD. (JP) 1984-05-15 — — US claimed
EP-0078503-B1 THERMOSETTING RESIN COMPOSITION AND PREPOLYMER THEREOF Hitachi, Ltd. (JP) 1986-02-26 — — EP disclosed
US-4448940-A POLYOXAZOLINES BASED ON DINITRILES AND DIEPOXY COMPOUNDS; POLYISOCYANURATE; FLEXIBILITY; PRINTED CIRCUITS HITACHI, LTD. (JP) 1984-05-15 — — US disclosed
EP-0078503-A1 Thermosetting resin composition and prepolymer thereof Hitachi, Ltd. (JP) 1983-05-11 — — EP disclosed
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