SCHEMBL8337247

SCHEMBL8337247

CCCCCCCOc1ccc(Cl)cc1C(N)=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.65
NR1I2 O75469 1/20 0.65
LMNA P02545 1/20 0.65
CHRM2 P08172 1/20 0.65
CYP3A4 P08684 1/20 0.65
ADRA2A P08913 1/20 0.65
MAPT P10636 1/20 0.65
OPRK1 P41145 1/20 0.65
HTR2B P41595 1/20 0.65
SLC6A3 Q01959 1/20 0.65
KMT2A Q03164 1/20 0.65
HDAC6 Q9UBN7 1/20 0.65
PTPN11 Q06124 4/20 0.51
S1PR3 Q99500 1/20 0.50
CNR1 P21554 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
THRA P10827 2/20 0.47
THRB P10828 2/20 0.47

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
SCHEMBL13884693 0.94 MEN1 (0.56) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL7951291 0.90 HTR2B (0.50) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL10592254 0.87 PTPN11 (0.66) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL12505352 0.85 TP53 (0.48) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL11360893 0.85 PTPN11 (0.50) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL12505368 0.84 MAPT (0.49) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL7089316 0.84 MEN1 (0.67) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL27518516 0.84 MAPT (0.67) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL5854283 0.84 MAPT (0.67) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL13108649 0.84 MEN1 (0.57) MEN1NR1I2LMNACHRM2CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 WO disclosed