SCHEMBL4730003

SCHEMBL4730003

CCCOc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCN(C)C3)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 9/20 0.67
LMNA P02545 3/20 0.62
TP53 P04637 2/20 0.62
UHRF1 Q96T88 1/20 0.61
RXFP1 Q9HBX9 2/20 0.59
MAPT P10636 4/20 0.55
KDM4E B2RXH2 3/20 0.55
NPC1 O15118 3/20 0.55
ALDH1A1 P00352 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MEN1 O00255 2/20 0.55
HTT P42858 2/20 0.55
KMT2A Q03164 2/20 0.55
USP2 O75604 2/20 0.55
POLB P06746 1/20 0.55
RECQL P46063 1/20 0.55
RAB9A P51151 1/20 0.55
BLM P54132 1/20 0.55
MYC P01106 1/20 0.53
HPGD P15428 1/20 0.51

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
SCHEMBL3757868 0.88 APEX1 (0.70) APEX1LMNATP53UHRF1RXFP1
SCHEMBL13833618 0.87 APEX1 (0.80) APEX1LMNATP53UHRF1RXFP1
SCHEMBL13812574 0.87 APEX1 (0.74) APEX1LMNATP53UHRF1RXFP1
Hydrochloric Acid SCHEMBL18953084 0.85 APEX1 (0.70) APEX1LMNATP53UHRF1RXFP1
SCHEMBL3753082 0.84 APEX1 (0.69) APEX1LMNATP53UHRF1RXFP1
SCHEMBL14209173 0.84 APEX1 (0.64) APEX1LMNATP53UHRF1RXFP1
SCHEMBL14233169 0.83 APEX1 (0.66) APEX1LMNATP53UHRF1RXFP1
SCHEMBL1292147 0.83 APEX1 (0.66) APEX1LMNATP53UHRF1RXFP1
SCHEMBL14209174 0.83 APEX1 (0.63) APEX1LMNATP53UHRF1RXFP1
SCHEMBL1292249 0.82 POLB (0.67) APEX1LMNATP53UHRF1RXFP1

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-2008020438-A2 BENZOTHIAZOLYL THIENOPYRIDINE DERIVATIVES AND USES THEREOF RIMONYX PHARMACEUTICALS LTD (IL) 2008-02-21 WO claimed
WO-2008020438-A2 BENZOTHIAZOLYL THIENOPYRIDINE DERIVATIVES AND USES THEREOF RIMONYX PHARMACEUTICALS LTD (IL) 2008-02-21 WO disclosed