SCHEMBL20472214

SCHEMBL20472214

CCCCCOc1ccc(F)cc1C(=O)Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
NR1I2 O75469 1/20 0.51
LMNA P02545 1/20 0.51
CHRM2 P08172 1/20 0.51
CYP3A4 P08684 1/20 0.51
ADRA2A P08913 1/20 0.51
MAPT P10636 1/20 0.51
OPRK1 P41145 1/20 0.51
HTR2B P41595 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KMT2A Q03164 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
PTPN11 Q06124 5/20 0.48
S1PR3 Q99500 1/20 0.48
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
THRA P10827 2/20 0.44
THRB P10828 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FAAH O00519 2/20 0.43

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
SCHEMBL2449519 0.87 PTPN11 (0.63) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL11287767 0.84 MRGPRX1 (0.49) CYP3A4ALDH1A1
SCHEMBL11360893 0.84 PTPN11 (0.50) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL8154031 0.82 CYP3A4 (0.49) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL20472402 0.82 PTPN11 (0.51) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL7366543 0.81 LMNA (0.69) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL8778447 0.81 MEN1 (0.51) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL667572 0.81 MEN1 (0.51) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL10621050 0.81 MEN1 (0.51) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL8982612 0.80 LMNA (0.72) 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-2018148204-A1 ASK1 INHIBITING AGENTS BIOGEN MA INC. (US) 2018-08-16 WO disclosed