SCHEMBL21247652

SCHEMBL21247652

CCCCC1CCCc2sc(NC(=O)N3CCCCC3)c(C(=O)O)c21

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 1/20 0.53
CNR2 P34972 2/20 0.47
ABCC1 P33527 4/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
NOD1 Q9Y239 1/20 0.44
TLR2 O60603 9/20 0.43
TLR1 Q15399 1/20 0.40
CXCR2 P25025 1/20 0.40
POLB P06746 1/20 0.36

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
SCHEMBL6315699 0.68 PTPN1 (0.54) ABCC1ABCG2CXCR2
SCHEMBL21250154 0.67 KMT2A (0.62) KMT2AMEN1CNR2NOD1TLR2
SCHEMBL6120984 0.63 ALDH1A1 (0.42) KMT2AMEN1ABCC1ABCG2
SCHEMBL21603891 0.63 ABCC1 (0.64) CNR2ABCC1ABCG2CXCR2
SCHEMBL21260646 0.61 ABCC1 (0.62) ABCC1ABCG2CXCR2
Water SCHEMBL21597829 0.60 ABCC1 (0.60) ABCC1ABCG2CXCR2
SCHEMBL17909966 0.59 ALDH1A1 (0.44) KMT2AMEN1ABCC1ABCG2
SCHEMBL21247237 0.59 CXCR2 (0.71) KMT2AMEN1ABCC1ABCG2CXCR2
SCHEMBL6437345 0.59 ALDH1A1 (0.68) KMT2AMEN1ABCC1POLB
SCHEMBL20541804 0.58 FLT3 (0.75) KMT2AMEN1ABCC1POLB

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-3749658-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO Pharma (FR) 2020-12-16 EP disclosed
WO-2019154949-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO PHARMA (FR) 2019-08-15 WO disclosed