SCHEMBL6968533

SCHEMBL6968533

Cc1nc(COCc2csc(C)n2)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.47
GAA P10253 1/20 0.46
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SLC6A3 Q01959 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41
MCL1 Q07820 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL12126197 0.90 PKM (0.44) PKMGAANPC1RAB9AMEN1
SCHEMBL791669 0.84
SCHEMBL2097217 0.83
SCHEMBL17635760 0.83
SCHEMBL15743980 0.83
SCHEMBL19510852 0.82 PKM (0.40) PKMGAANPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL1715751 0.81 PKM (0.44) PKMGAANPC1RAB9AMEN1
SCHEMBL4134899 0.80 PKM (0.45) PKMGAANPC1RAB9AMEN1
SCHEMBL12530357 0.79 PKM (0.43) PKMGAANPC1RAB9AMEN1
SCHEMBL13217996 0.79 PKM (0.43) PKMGAANPC1RAB9AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6566376-B1 For therapy of chemokine receptor related diseases and conditions such as rheumatoid arthritis, chronic obstructive pulmonary disease ASTRAZENECA UK LIMITED (GB) 2003-05-20 US claimed
US-6566376-B1 For therapy of chemokine receptor related diseases and conditions such as rheumatoid arthritis, chronic obstructive pulmonary disease ASTRAZENECA UK LIMITED (GB) 2003-05-20 US disclosed
EP-1202984-B1 DIPHENYL-PIPERIDINE DERIVATE ASTRAZENECA UK LTD (GB) 2003-03-05 EP disclosed