SCHEMBL6928532

SCHEMBL6928532

CCCCN1CCCN(C(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(OC)c(OC)c3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
CCR2 P41597 4/20 0.47
KCNH2 Q12809 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.44
CYP2C9 P11712 1/20 0.44
PTGDR Q13258 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RAB9A P51151 1/20 0.43
ACLY P53396 1/20 0.43

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
SCHEMBL6923769 0.98 KMT2A (0.47) KMT2ACCR2KCNH2MEN1ALDH1A1
SCHEMBL6929374 0.95 KMT2A (0.48) KMT2ACCR2KCNH2MEN1ALDH1A1
SCHEMBL3069426 0.91 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1CYP2C9HPGD
SCHEMBL6924761 0.89 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1CYP2C9HPGD
SCHEMBL6932063 0.87 LMNA (0.44) KMT2ACCR2KCNH2ALDH1A1CYP2C9
SCHEMBL3071070 0.86 HTR7 (0.45) KMT2AALDH1A1LMNAHPGD
SCHEMBL6928187 0.86 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1CYP2C9HPGD
SCHEMBL6922856 0.85 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1LMNA
SCHEMBL6827768 0.85 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1CYP2C9LMNA
SCHEMBL6830911 0.83 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1LMNA

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-2004073619-A2 CCR8 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-09-02 WO claimed
WO-2004073619-A2 CCR8 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-09-02 WO disclosed