SCHEMBL14434232

SCHEMBL14434232

COc1ccccc1CNC(=S)Nc1ccc(Cl)cc1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.74
MEN1 O00255 3/20 0.74
LMNA P02545 4/20 0.68
ALDH1A1 P00352 3/20 0.68
MAPT P10636 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.65
PKM P14618 1/20 0.65
CRHBP P24387 1/20 0.65
CRHR2 Q13324 1/20 0.65
RAB9A P51151 1/20 0.61
NPSR1 Q6W5P4 1/20 0.59
QPCT Q16769 1/20 0.58
CNR1 P21554 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
POLB P06746 1/20 0.57
HPGD P15428 1/20 0.56
ALOX12 P18054 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
SCHEMBL7692030 0.86 ALDH1A1 (0.68) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL7692027 0.82 ALDH1A1 (0.69) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL6814650 0.78 ALDH1A1 (0.61) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL14433882 0.75 ALDH1A1 (0.86) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL28542942 0.75 ALDH1A1 (0.86) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL12884376 0.74 LMNA (0.72) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL3631999 0.74 QPCT (0.84) LMNAALDH1A1MAPTQPCT
SCHEMBL8979285 0.74 LMNA (0.70) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL22834237 0.74 CNR1 (1.00) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL29614996 0.74 CNR1 (1.00) KMT2AMEN1LMNAALDH1A1MAPT

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