SCHEMBL3245040

SCHEMBL3245040

CC(=O)NCCn1cc(OC(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3Cl)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 4/20 0.38
▸ MTNR1B P49286 4/20 0.38
▸ SLC22A12 Q96S37 2/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ LMNA P02545 3/20 0.35
▸ TP53 P04637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HDAC3 O15379 3/20 0.34
▸ HDAC6 Q9UBN7 3/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33

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
SCHEMBL3245763 0.91 SLC22A12 (0.38) SLC22A12CNR2MAPTLMNATP53
SCHEMBL1045195 0.89 GAA (0.42) MTNR1AMTNR1BSLC22A12CNR2MAPT
SCHEMBL3247125 0.88 CNR2 (0.41) SLC22A12CNR2MAPTLMNATP53
SCHEMBL3235184 0.88 SLC22A12 (0.36) SLC22A12CNR2MAPTLMNATP53
SCHEMBL3239637 0.87 SLC22A12 (0.39) SLC22A12CNR2MAPTLMNATP53
SCHEMBL3241585 0.87 SLC22A12 (0.39) SLC22A12CNR2MAPTLMNATP53
SCHEMBL3245321 0.87 CNR2 (0.45) SLC22A12CNR2MAPTLMNATP53
SCHEMBL3247047 0.87 CNR1 (0.39) SLC22A12CNR2MAPTLMNATP53
SCHEMBL3243264 0.87 SLC22A12 (0.40) SLC22A12CNR2LMNAALDH1A1
SCHEMBL3241599 0.87 SLC22A12 (0.40) SLC22A12CNR2MAPTLMNATP53

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
EP-1564210-B9 4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS JAPAN TOBACCO INC (JP) 2010-03-31 — — EP claimed
EP-1564210-B1 4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS JAPAN TOBACCO INC (JP) 2009-09-16 — — EP claimed
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