SCHEMBL20432149

SCHEMBL20432149

CC(F)(F)c1ccccc1-c1nc2c(n1Cc1ccccc1)C(=O)CC(CCCO)C(=O)C2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 1/20 0.33
▸ PPARG P37231 1/20 0.32
▸ CSNK2A2 P19784 1/20 0.32
▸ CSNK2B P67870 1/20 0.32
▸ CSNK2A1 P68400 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ AGTR1 P30556 2/20 0.31
▸ AGTR2 P50052 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ MCHR1 Q99705 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MEN1 O00255 1/20 0.31

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
SCHEMBL18834032 0.84 MDM2 (0.36) CASRPPARGCSNK2A2CSNK2BCSNK2A1
SCHEMBL18833700 0.75 MDM2 (0.37) CSNK2A2CSNK2BCSNK2A1ABCG2MDM2
SCHEMBL19375084 0.75 MDM2 (0.34) CASRCSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL19375362 0.74 MDM2 (0.32) CSNK2A2CSNK2BCSNK2A1ABCG2MDM2
SCHEMBL18833947 0.72 PDE5A (0.37) CASRPPARGMDM2HPGDMCHR1
SCHEMBL18834648 0.71 PDE5A (0.37) CASRCSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL19375085 0.64 GFER (0.40) KDM4EHPGDLMNAKMT2ANPSR1
SCHEMBL18834613 0.62 SMN1; SMN2 (0.41) CASRCSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL16028050 0.61 TRPC4 (0.52) KDM4EHPGDTSHRLMNAMEN1
SCHEMBL19375382 0.61 USP1 (0.41) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970303-B3 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2018-08-01 — — EP disclosed
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