SCHEMBL6970304

SCHEMBL6970304

COC(=O)c1c(CO)ncn1Cc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.46
CYP11B1 P15538 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HSP90AA1 P07900 1/20 0.44
HSP90B1 P14625 1/20 0.44
YTHDC1 Q96MU7 1/20 0.44
SCD O00767 2/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NR3C1 P04150 1/20 0.42
KCNH2 Q12809 1/20 0.41

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
SCHEMBL20187453 0.88 CYP11B2 (0.47) CYP11B2CYP11B1HSP90B1MEN1KMT2A
SCHEMBL20591090 0.85 SCD (0.50) CYP11B2CYP11B1SMN1; SMN2HSP90AA1HSP90B1
SCHEMBL28895492 0.80 PKM (0.58) CYP11B2CYP11B1SMN1; SMN2HSP90AA1HSP90B1
SCHEMBL7009864 0.80 YTHDC1 (0.46) CYP11B2CYP11B1HSP90AA1HSP90B1YTHDC1
SCHEMBL20591091 0.80 SCD (0.46) CYP11B2CYP11B1HSP90AA1HSP90B1YTHDC1
SCHEMBL17465809 0.79 GAA (0.50) CYP11B2CYP11B1SMN1; SMN2HSP90AA1HSP90B1
SCHEMBL6981816 0.78 OPRD1 (0.48) ALDH1A1
SCHEMBL3876222 0.76 YTHDC1 (0.52) CYP11B2SMN1; SMN2YTHDC1RAB9A
SCHEMBL20591084 0.74 PKM (0.47) CYP11B2CYP11B1SMN1; SMN2HSP90AA1HSP90B1
SCHEMBL20591088 0.73 CYP11B2 (0.48) CYP11B2CYP11B1HSP90AA1HSP90B1YTHDC1

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
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