SCHEMBL8010964

SCHEMBL8010964

CC(=O)C(NC(=O)c1cccc2ccccc12)C(S)(c1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 9/20 0.46
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
MAPT P10636 3/20 0.41
WDR5 P61964 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PLK1 P53350 1/20 0.40
PDE2A O00408 1/20 0.39
PDE6D O43924 1/20 0.39
PDE8A O60658 1/20 0.39
PDE5A O76074 1/20 0.39
PDE9A O76083 1/20 0.39

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
SCHEMBL8021169 0.73 CCR3 (0.47) CCR3MEN1KMT2AMAPTWDR5
SCHEMBL5580409 0.72 CCR3 (0.49) CCR3MEN1KMT2AMAPTWDR5
Hydrochloric Acid SCHEMBL8025141 0.71 CYP19A1 (0.44) MEN1KMT2AMAPTLMNANPC1
SCHEMBL8024921 0.71 CCR3 (0.53) CCR3NPC1RAB9ASMN1; SMN2
SCHEMBL7608481 0.71 CCR3 (0.66) CCR3MEN1KMT2A
SCHEMBL8014171 0.71 CCR3 (0.66) CCR3MEN1KMT2A
SCHEMBL5580155 0.71 CCR3 (0.48) CCR3MEN1KMT2AMAPTWDR5
SCHEMBL5580157 0.70 CCR3 (0.51) CCR3MEN1KMT2AMAPTWDR5
SCHEMBL3930225 0.69 CCR3 (0.62) CCR3ALDH1A1
SCHEMBL3930227 0.69 CCR3 (0.62) CCR3ALDH1A1

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-2000053172-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-09-14 WO claimed
WO-2000053172-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-09-14 WO disclosed