SCHEMBL6928588

SCHEMBL6928588

CCOP(=O)(OCC)c1cc2ccc(F)cc2[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.49
DDO Q99489 1/20 0.49
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.37
PARP1 P09874 2/20 0.36
KCNH2 Q12809 1/20 0.36
FLT3 P36888 2/20 0.36
KMT2A Q03164 1/20 0.35
IDH1 O75874 1/20 0.35
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
AKR1B1 P15121 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
MAPT P10636 1/20 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
Nitrogen SCHEMBL27568374 0.93 DAO (0.43) DAODDOKDM4EPOLBPARP1
SCHEMBL6926397 0.84 DAO (0.49) DAOIDH1GRIN2DGRIN3BGRIN1
SCHEMBL6929177 0.83 CDK5 (0.39) DAOPOLBGRIN1MAPT
SCHEMBL7739643 0.80 GSK3B (0.37) KDM4EPOLBKMT2ATSHRGRIN2D
SCHEMBL6928596 0.79 GRIN2D (0.33) POLBGRIN2DGRIN3BGRIN1GRIN2A
Nitrogen SCHEMBL27548156 0.78 CDK5 (0.36) IDH1GRIN1MAPT
SCHEMBL6926884 0.75 GRIN2D (0.31) POLBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6928590 0.75 DAO (0.46) DAODDOKDM4EFLT3IDH1
SCHEMBL6929437 0.75 POLB (0.33) POLBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6923314 0.75 GRIN2D (0.42) TSHRGRIN2DGRIN3BGRIN1GRIN2A

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
US-6596709-B1 For treatment of Alzheimer's disease, schizophrenia, amyotrophic lateral sclerosis, and Huntington's chorea LES LABORATOIRES SERVIER (FR) 2003-07-22 US disclosed
US-6518258-B1 6-sulphamoyl -3-quinolyphosphonic acid compounds LES LABORATOIRES SERVIER (FR) 2003-02-11 US disclosed
US-6420386-B1 SPINAL TRAUMATISM, EPILEPSY, CHRONIC NEURODEGENERATIVE DISEASES SUCH AS ALZHEIMER'S DISEASE, SCHIZOPHRENIA, LATERAL AMYOTROPHIC SCLEROSIS OR HUNTINGTON'S CHOREA. LES LABORATORIES SERVIER (FR) 2002-07-16 US disclosed