SCHEMBL7732180

SCHEMBL7732180

Cc1cc(Oc2ccc(N/C=C3\C(=O)Nc4ccc5ncccc5c43)cc2)ccc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL1B P01584 1/20 0.39
DRD1 P21728 3/20 0.36
TDP1 Q9NUW8 1/20 0.35
NR1H4 Q96RI1 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
MYC P01106 1/20 0.34
LMNA P02545 2/20 0.33
PRSS12 P56730 1/20 0.33
TLK2 Q86UE8 1/20 0.33
BCL2L1 Q07817 1/20 0.33
MCL1 Q07820 1/20 0.33
ACLY P53396 1/20 0.33
KIT P10721 2/20 0.32
FLT4 P35916 2/20 0.32

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
SCHEMBL7732189 1.00 IL1B (0.39) IL1BDRD1TDP1NR1H4GRIN2D
SCHEMBL7720615 0.90 IL1B (0.43) IL1BMYCLMNATLK2ACLY
SCHEMBL7720618 0.90 IL1B (0.43) IL1BMYCLMNATLK2ACLY
SCHEMBL5873873 0.89 RAB9A (0.39) TDP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5873878 0.89 RAB9A (0.39) TDP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5873984 0.87 AKR1C3 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5873982 0.87 AKR1C3 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5873697 0.86 ERBB2 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5430428 0.86 ERBB2 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5430431 0.86 ERBB2 (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165514-A1 3-(ANILINOMETHYLENE) OXINDOLES AS PROTEIN TYROSINE KINASE AND PROTEIN SERINE/THREONINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2002-01-02 EP claimed
WO-2000056710-A1 3-(ANILINOMETHYLENE) OXINDOLES AS PROTEIN TYROSINE KINASE AND PROTEIN SERINE/THREONINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-09-28 WO claimed