SCHEMBL27611366

SCHEMBL27611366

O=C(O)NCCc1ccc(F)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
CNR1 P21554 2/20 0.48
P2RX7 Q99572 9/20 0.47
IL1B P01584 1/20 0.47
HSD11B1 P28845 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
CNR2 P34972 1/20 0.45
PLAAT3 P53816 1/20 0.45
PLAAT5 Q96KN8 1/20 0.45
PLAAT2 Q9NWW9 1/20 0.45
PLAAT4 Q9UL19 1/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL21724695 0.83 HSD11B1 (0.58) P2RX7HSD11B1MAPT
SCHEMBL3529974 0.83 HPGD (0.67) HPGDCNR1MEN1KMT2ATDP1
SCHEMBL28753564 0.82 HPGD (0.50) HPGDCNR1KMT2APLAAT3PLAAT5
SCHEMBL1344012 0.81 P2RX7 (0.44) P2RX7KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL5774639 0.78 HPGD (0.47) HPGDCNR1MEN1KMT2ATDP1
SCHEMBL2774093 0.78 HIF1A (0.43) ALDH1A1KDM4E
SCHEMBL5045620 0.78 MEN1 (0.50) HPGDP2RX7HSD11B1MEN1KMT2A
SCHEMBL29673144 0.78 MEN1 (0.50) HPGDP2RX7HSD11B1MEN1KMT2A
SCHEMBL5110287 0.77 P2RX7 (0.46) HPGDCNR1P2RX7PLAAT3PLAAT5
SCHEMBL20362255 0.77 MTNR1A (0.52) HPGDMEN1KMT2AMAPT

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
CN-1589153-A Prevention or treatment of urinary disorders TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-03-02 CN disclosed