SCHEMBL7843323

SCHEMBL7843323

Cc1cc(C)cc(Oc2[nH]c(=O)n(Cc3cc(F)cc(F)c3)c(=O)c2C(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.36
GRIN2B Q13224 3/20 0.36
CASR P41180 1/20 0.32
KMT2A Q03164 1/20 0.32
ROCK2 O75116 1/20 0.31
KDM4E B2RXH2 1/20 0.31
P2RX3 P56373 1/20 0.31
TLR7 Q9NYK1 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL7848800 0.92 KDM4E (0.34) GRIN1GRIN2BKMT2AKDM4EP2RX3
SCHEMBL7848233 0.87 MTNR1A (0.39) GRIN1GRIN2BKMT2AROCK2KDM4E
SCHEMBL7846207 0.86 TLR7 (0.42) KMT2AKDM4EP2RX3TLR7ALDH1A1
SCHEMBL7844403 0.83 GRIN1 (0.37) GRIN1GRIN2BKMT2AROCK2KDM4E
SCHEMBL6088310 0.82 GRIN1 (0.36) GRIN1GRIN2BKMT2AROCK2TLR7
SCHEMBL7837526 0.82 MTNR1A (0.52) GRIN1GRIN2BKMT2AKDM4EMTNR1A
SCHEMBL7835808 0.81 GRIN1 (0.43) GRIN1GRIN2BKMT2A
SCHEMBL7844132 0.80 ALDH1A1 (0.37) KMT2AKDM4EP2RX3TLR7MTNR1A
SCHEMBL7847745 0.78 ELANE (0.32) GRIN1GRIN2BKMT2AALDH1A1
SCHEMBL7849648 0.78 GRIN1 (0.36) GRIN1GRIN2BCASRKMT2AALDH1A1

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-1100786-A1 ANTIVIRAL PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 2001-05-23 EP disclosed
WO-2000061564-A1 ANTIVIRAL PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-10-19 WO disclosed