SCHEMBL3243355

SCHEMBL3243355

CN(C)S(=O)(=O)c1ccccc1Cc1ccc2c(c1)c(=O)c(OC(=O)O)cn2CCO

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
LMNA P02545 6/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.37
RAB9A P51151 1/20 0.37
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ATM Q13315 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
CPT1A P50416 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL3239874 0.90 LMNA (0.38) ALDH1A1LMNAMAPTRXFP1CPT1A
SCHEMBL3240157 0.89 CPT1A (0.37) ALDH1A1LMNAMAPTRXFP1CPT1A
SCHEMBL1043493 0.88 LMNA (0.52) ALDH1A1LMNAKDM4EHTTMEN1
SCHEMBL3243303 0.85 TP53 (0.38) ALDH1A1LMNAMAPTRXFP1TP53
SCHEMBL3242661 0.85 TP53 (0.36) ALDH1A1LMNAKDM4EHTTMEN1
SCHEMBL3245273 0.85 MAPT (0.41) ALDH1A1LMNAKDM4EMAPTRAB9A
SCHEMBL3246977 0.84 TP53 (0.36) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL3234992 0.83 LMNA (0.38) ALDH1A1LMNAMAPTRXFP1TP53
SCHEMBL3239841 0.83 TP53 (0.37) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL3237627 0.83 TP53 (0.37) ALDH1A1LMNAMAPTRXFP1TP53

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