SCHEMBL7846744

SCHEMBL7846744

Cc1cc(C)cc(Sc2[nH]c(=O)n(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(=O)c2C(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 8/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
NR3C1 P04150 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADORA2B P29275 2/20 0.31
P2RX3 P56373 1/20 0.31
RAB9A P51151 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
SCHEMBL7849648 0.86 GRIN1 (0.36) GRIN1GRIN2BKMT2ASMN1; SMN2
SCHEMBL7848879 0.84 TYMS (0.35) DDR1
SCHEMBL7843371 0.84 ALDH1A1 (0.41) MAPTTSHRCYP3A4MEN1KMT2A
SCHEMBL6085665 0.83 TSHR (0.34) GRIN1GRIN2BMAPTTSHRNR3C1
SCHEMBL7845270 0.82 MTNR1A (0.38) GRIN1GRIN2BMAPTMEN1KMT2A
SCHEMBL7837651 0.78 MTNR1A (0.50) GRIN1GRIN2BMAPTTSHRCYP3A4
SCHEMBL7848132 0.77 GRIN1 (0.40) GRIN1GRIN2BNR3C1KMT2A
SCHEMBL9009378 0.76 NOTUM (0.30)
SCHEMBL7848982 0.75 GRIN1 (0.42) GRIN1GRIN2BTSHRCYP3A4MEN1
SCHEMBL7845199 0.74 GRIN1 (0.45) GRIN1GRIN2BKDM4E

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