SCHEMBL6929374

SCHEMBL6929374

CCCN1CCCN(C(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(OC)c(OC)c3)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
CCR2 P41597 4/20 0.48
KCNH2 Q12809 1/20 0.48
ALDH1A1 P00352 2/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 2/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL6928532 0.95 KMT2A (0.47) KMT2ACCR2KCNH2ALDH1A1CYP2C9
SCHEMBL6923769 0.94 KMT2A (0.47) KMT2ACCR2KCNH2ALDH1A1CYP2C9
SCHEMBL6928187 0.91 ALDH1A1 (0.58) KMT2AALDH1A1CYP2C9HPGDHSD17B10
SCHEMBL6932063 0.88 LMNA (0.44) KMT2ACCR2KCNH2ALDH1A1CYP2C9
SCHEMBL3069426 0.86 ALDH1A1 (0.56) KMT2AALDH1A1CYP2C9HPGDHSD17B10
SCHEMBL6924761 0.85 ALDH1A1 (0.55) KMT2AALDH1A1CYP2C9HPGDHSD17B10
SCHEMBL6830792 0.85 ALDH1A1 (0.59) KMT2AALDH1A1LMNAL3MBTL1MEN1
SCHEMBL6929296 0.84 ALDH1A1 (0.58) ALDH1A1CYP2C9LMNARAB9APOLB
SCHEMBL6926796 0.81 LMNA (0.59) KMT2AALDH1A1LMNARAB9A
SCHEMBL3071070 0.81 HTR7 (0.45) KMT2AALDH1A1HPGDLMNAL3MBTL1

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