SCHEMBL14434612

SCHEMBL14434612

COc1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1OC

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.78
ALDH1A1 P00352 11/20 0.78
KMT2A Q03164 6/20 0.78
MEN1 O00255 5/20 0.78
LMNA P02545 5/20 0.72
ALOX12 P18054 2/20 0.72
THRB P10828 1/20 0.72
HPGD P15428 1/20 0.72
HTT P42858 1/20 0.72
GAA P10253 7/20 0.69
SMN1; SMN2 Q16637 2/20 0.60
TP53 P04637 2/20 0.57
IDO1 P14902 1/20 0.57
KDM4E B2RXH2 1/20 0.56
RAB9A P51151 1/20 0.56

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
SCHEMBL15840666 0.85 LMNA (0.63) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL4555003 0.83 IDO1 (0.78) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL7592691 0.79 ALDH1A1 (0.62) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL28145455 0.79 ALDH1A1 (0.61) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL6815899 0.78 ALDH1A1 (0.61) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL5038742 0.78 ALDH1A1 (0.56) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL7592685 0.77 ALDH1A1 (0.60) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL6813529 0.77 P2RY1 (0.61) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL10660750 0.76 IDO1 (0.68) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL4555049 0.76 MEN1 (0.68) MAPTALDH1A1KMT2AMEN1LMNA

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-2007076055-A9 COMPOSITIONS AND METHODS COMPRISING PROTEINASE ACTIVATED RECEPTOR ANTAGONISTS ENTREMED INC (US) 2007-08-30 WO disclosed
WO-2007076055-A2 COMPOSITIONS AND METHODS COMPRISING PROTEINASE ACTIVATED RECEPTOR ANTAGONISTS ENTREMED, INC. (US) 2007-07-05 WO disclosed