SCHEMBL4776126

SCHEMBL4776126

O=C(O)c1sc(-c2ccc(-c3cn4ccccc4n3)cc2)cc1N(C(=O)C1CCC(C(F)(F)F)CC1)C1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.41
KDM4E B2RXH2 10/20 0.40
SMN1; SMN2 Q16637 8/20 0.40
ALDH1A1 P00352 7/20 0.40
HPGD P15428 3/20 0.40
MAPT P10636 4/20 0.37
HSD17B10 Q99714 2/20 0.37
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
RAB9A P51151 9/20 0.35
NPC1 O15118 7/20 0.35
PKM P14618 3/20 0.35
GFER P55789 3/20 0.34
POLB P06746 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.33
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
CHRM4 P08173 1/20 0.33
KMT2A Q03164 2/20 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
SCHEMBL4776116 1.00 FASN (0.41) FASNKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL4795366 0.92 FASN (0.42) FASNKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL4795361 0.92 FASN (0.42) FASNKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL4781129 0.90 FASN (0.42) FASNKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL4781136 0.90 FASN (0.42) FASNKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL4147205 0.86 PTGS1 (0.42) FASNKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL4147202 0.86 PTGS1 (0.42) FASNKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL4776412 0.83 APOBEC3A (0.32)
SCHEMBL4776414 0.83 APOBEC3A (0.32)
SCHEMBL14043026 0.81 RORC (0.31)

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
WO-2008017688-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-14 WO claimed
WO-2008017688-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-14 WO disclosed