SCHEMBL9310445

SCHEMBL9310445

CNc1ccc2c(O)c(N=Nc3c(S(=O)(=O)O)cc4c(S(=O)(=O)O)cccc4c3S(=O)(=O)O)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.48
CTRC Q99895 1/20 0.48
CYP1A2 P05177 5/20 0.48
CTRB1 P17538 1/20 0.47
CYP2C9 P11712 3/20 0.45
TSHR P16473 2/20 0.45
CYP2C19 P33261 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
CSNK2A1 P68400 1/20 0.45
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CD40 P25942 1/20 0.42
CD40LG P29965 1/20 0.42

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
SCHEMBL8124361 0.86 CD40 (0.51) MPLCTRCCYP1A2CTRB1CYP2C9
SCHEMBL8124363 0.86 CD40 (0.51) MPLCTRCCYP1A2CTRB1CYP2C9
SCHEMBL9310020 0.85 CYP1A2 (0.51) MPLCTRCCYP1A2CTRB1CYP2C9
SCHEMBL10392594 0.84 ENPP2 (0.47) MPLCTRCCYP1A2CTRB1CYP2C9
SCHEMBL8972597 0.80 ENPP2 (0.52) MPLCTRCCYP1A2CTRB1CYP2C9
SCHEMBL9309976 0.78 MPL (0.48) MPLCTRCCYP1A2CTRB1CYP2C9
SCHEMBL9308275 0.77 MEN1 (0.53) MPLCTRCCYP1A2CTRB1CYP2C9
SCHEMBL14294563 0.77 ENPP2 (0.57) CYP1A2CYP2C9MEN1THRBKMT2A
SCHEMBL18218122 0.76 CYP1A2 (0.58) MPLCTRCCYP1A2CTRB1CYP2C9
SCHEMBL20735493 0.75 CD40 (0.56) CYP1A2CYP2C9MEN1THRBKMT2A

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-5298607-A Reactive dyes for cotton CIBA-GEIGY CORPORATION (US) 1994-03-29 US disclosed