SCHEMBL8307160

SCHEMBL8307160

Cc1c(C(F)(F)F)[nH]c(=O)n(Cc2ccc(OCC(=O)OC(C)(C)C)c(Cl)c2Cl)c1=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
ACLY P53396 2/20 0.34
DDR1 Q08345 15/20 0.34
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 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
SCHEMBL8303240 0.89 RORC (0.37) KDM4EMEN1ALDH1A1HPGDTSHR
SCHEMBL8303099 0.89 HSD17B13 (0.33) KDM4EALDH1A1DDR1
SCHEMBL8304561 0.80 P2RX3 (0.36) ALDH1A1DDR1
SCHEMBL8308409 0.78 ALDH1A1 (0.35) KDM4EALDH1A1DDR1
SCHEMBL8309156 0.76 DDR1 (0.32) ALDH1A1DDR1
SCHEMBL7476618 0.75 ACLY (0.37) KDM4EMEN1ALDH1A1HPGDTSHR
SCHEMBL7471937 0.63 BCAT1 (0.40) KDM4EALDH1A1KMT2ADDR1
SCHEMBL7472788 0.62 RORC (0.42) MEN1ALDH1A1TSHRKMT2A
SCHEMBL7476563 0.62 LMNA (0.36) MEN1ALDH1A1HPGDKMT2AHSD17B10
SCHEMBL16741050 0.62 PSEN1 (0.41) KDM4EMEN1ALDH1A1HPGDTSHR

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-0891336-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1999-01-20 EP disclosed
WO-1997035845-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-10-02 WO disclosed