SCHEMBL3475686

SCHEMBL3475686

CN1Cc2c(sc3c2CCCC3)C(c2ccc(Cl)c(Cl)c2)=C1CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
SLC22A12 Q96S37 2/20 0.39
EEF2K O00418 1/20 0.36
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
SLC6A2 P23975 3/20 0.33
SLC6A3 Q01959 3/20 0.33
S1PR1 P21453 1/20 0.33
S1PR5 Q9H228 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.32
SLC6A4 P31645 1/20 0.32
ALOX5 P09917 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
SCHEMBL740648 0.81 SLC22A12 (0.41) KMT2ASLC22A12EEF2KTP53THRB
SCHEMBL3474951 0.69 KMT2A (0.76) KMT2A
SCHEMBL15875920 0.63 KMT2A (0.60) KMT2A
SCHEMBL99447 0.62 KMT2A (0.61) KMT2AEEF2K
SCHEMBL14926951 0.61 ALDH1A1 (0.40) KMT2ATP53
SCHEMBL3477086 0.61 ALDH1A1 (0.37) KMT2AMEN1LMNA
SCHEMBL739438 0.61 ALDH1A1 (0.47) KMT2ALMNA
SCHEMBL132834 0.59 KMT2A (0.84) KMT2A
SCHEMBL741117 0.58 ALDH1A1 (0.36) KMT2ATHRBMEN1LMNA
SCHEMBL741438 0.57 ALDH1A1 (0.47) KMT2AMEN1LMNA

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
WO-2010130842-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2010-11-18 WO disclosed