SCHEMBL8693773

SCHEMBL8693773

N=C(N)Nc1cccc(C(CC=CN)(C(=O)O)S(=O)(=O)c2ccccc2NC=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 5/20 0.40
F2 P00734 2/20 0.33
ALDH1A1 P00352 4/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
IDH1 O75874 3/20 0.32
GRIK1 P39086 1/20 0.31
HTT P42858 3/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 1/20 0.30
PKM P14618 1/20 0.30
IDH2 P48735 1/20 0.30
TMPRSS6 Q8IU80 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL8694013 0.85 RXFP1 (0.39) RXFP1F2ALDH1A1CYP3A4CYP2C9
SCHEMBL8429456 0.71 RXFP1 (0.44) RXFP1ALDH1A1CYP3A4CYP2C9GRIK1
SCHEMBL8429164 0.70 RXFP1 (0.36) RXFP1F2HTTMAPTMEN1
SCHEMBL8696189 0.66 ITGB3 (0.36) RXFP1HTTMAPTLMNA
SCHEMBL8698654 0.63 PTGER1 (0.34) MEN1KMT2A
SCHEMBL8429105 0.62 PLAU (0.38) RXFP1ALDH1A1CYP3A4CYP2C9HTT
SCHEMBL8432256 0.62 L3MBTL1 (0.38) ALDH1A1HPGDHTTMAPTMEN1
Bicarbonate SCHEMBL7469511 0.61 MAPT (0.65) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL16450915 0.61 HDAC8 (0.53) RXFP1ALDH1A1HTTMAPTMEN1
SCHEMBL8431259 0.60 RXFP1 (0.43) RXFP1F2MAPTMEN1KMT2A

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
US-5843906-A Meta-substituted phenylene sulphonamide derivatives G. D. SEARLE & CO. (US) 1998-12-01 US disclosed