SCHEMBL8936102

SCHEMBL8936102

CCOP(=O)(Cc1cc(=O)[nH]c2cc(Cl)c(Cl)cc12)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.36
GRIN3B O60391 4/20 0.36
GRIN1 Q05586 4/20 0.36
GRIN2A Q12879 4/20 0.36
GRIN2B Q13224 4/20 0.36
GRIN2C Q14957 4/20 0.36
GRIN3A Q8TCU5 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.34
TP53 P04637 1/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
EGFR P00533 1/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 2/20 0.33
TSHR P16473 2/20 0.33
BLM P54132 2/20 0.33
PMP22 Q01453 2/20 0.33
KMT2A Q03164 2/20 0.33
AR P10275 2/20 0.33

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
SCHEMBL8936072 0.79 SMN1; SMN2 (0.38) SMN1; SMN2EGFRMEN1KMT2AKDM4E
SCHEMBL8936088 0.79 CA12 (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8936045 0.79 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8936172 0.72 SMN1; SMN2 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8936160 0.71 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6298909 0.69 TSHR (0.46) TP53EGFRMEN1TSHRKMT2A
SCHEMBL23908226 0.68 TSHR (0.50) TP53EGFRMEN1TSHRKMT2A
SCHEMBL15316683 0.66 TDP1 (0.43) SMN1; SMN2EGFRMEN1TSHRKMT2A
SCHEMBL10627650 0.66 TDP1 (0.46) SMN1; SMN2EGFRMEN1LMNACYP1A2
SCHEMBL901666 0.65 HSD17B10 (0.41) EGFRTSHRALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5510338-A ADMINISTERING TO A MAMMAL TO RELIEVE PAIN AND TO TREAT CONVULSIONS, CEREBRAL ISCHEMIC DAMAGE, AND EMESIS GUILFORD PHARMACEUTICALS INC. (US) 1996-04-23 US disclosed
US-5342946-A Phosphonoalkylquinolin-2-ones as novel antagonists of non-NMDA ionotropic excitatory amino acid receptors GUILFORD PHARMACEUTICALS INC. (US) 1994-08-30 US disclosed