SCHEMBL9309976

SCHEMBL9309976

Nc1cccc2ccc(N=Nc3c(S(=O)(=O)O)cc4c(S(=O)(=O)O)cccc4c3S(=O)(=O)O)c(O)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.48
CTRC Q99895 1/20 0.48
CTRB1 P17538 1/20 0.47
ENPP2 Q13822 1/20 0.46
CYP1A2 P05177 5/20 0.46
CYP2C9 P11712 2/20 0.44
MAPK1 P28482 2/20 0.44
DNASE1L3 Q13609 1/20 0.44
SENP2 Q9HC62 2/20 0.43
SENP1 Q9P0U3 1/20 0.43
PHLPP2 Q6ZVD8 2/20 0.43
ATIC P31939 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
ALOX12 P18054 1/20 0.43
CYP2C19 P33261 1/20 0.43
CSNK2A1 P68400 1/20 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
SCHEMBL9308275 0.90 MEN1 (0.53) MPLCTRCCTRB1ENPP2CYP1A2
SCHEMBL9310020 0.85 CYP1A2 (0.51) MPLCTRCCTRB1ENPP2CYP1A2
SCHEMBL8779905 0.84 ENPP2 (0.57) MPLCTRCCTRB1ENPP2CYP1A2
SCHEMBL13980954 0.81 CYP1A2 (0.56) MPLCTRCCTRB1ENPP2CYP1A2
SCHEMBL10617409 0.79 ENPP2 (0.53) MPLCTRCCTRB1ENPP2CYP1A2
SCHEMBL9310445 0.78 MPL (0.48) MPLCTRCCTRB1ENPP2CYP1A2
SCHEMBL10393486 0.78 CTRB1 (0.52) MPLCTRCCTRB1ENPP2CYP1A2
SCHEMBL16488626 0.76 PHLPP2 (0.66) ENPP2CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL7588620 0.76 PHLPP2 (0.64) ENPP2CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL16488621 0.75 CYP1A2 (0.53) MPLCTRCCTRB1ENPP2CYP1A2

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 2 patents. 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
US-4808706-A WET- AND LIGHFAST; SOLUBLE CIBA-GEIGY CORPORATION (US) 1989-02-28 US disclosed