SCHEMBL20682103

SCHEMBL20682103

Nc1c(N=Nc2ccc3c(O)c(N=Nc4ccc(N=Nc5c(C(=O)O)nn(-c6ccc(S(=O)(=O)O)cc6)c5O)c(C(=O)O)c4)c(S(=O)(=O)O)cc3c2S(=O)(=O)O)cc(S(=O)(=O)O)c2cc(S(=O)(=O)O)c(N=Nc3ccc([N+](=O)[O-])cc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD40 P25942 1/20 0.38
▸ CD40LG P29965 1/20 0.38
▸ ENPP2 Q13822 8/20 0.36
▸ PHLPP2 Q6ZVD8 4/20 0.36
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ APEX1 P27695 1/20 0.32
▸ NT5E P21589 1/20 0.31
▸ PRMT1 Q99873 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL13265358 0.97 CD40 (0.41) CD40CD40LGENPP2PHLPP2CYP1A2
SCHEMBL13265405 0.97 CD40 (0.41) CD40CD40LGENPP2PHLPP2CYP1A2
SCHEMBL13265195 0.96 CD40 (0.37) CD40CD40LGENPP2PHLPP2CYP1A2
SCHEMBL13264983 0.95 CD40 (0.38) CD40CD40LGENPP2PHLPP2CYP1A2
SCHEMBL13406835 0.95 CD40 (0.39) CD40CD40LGENPP2PHLPP2CYP1A2
SCHEMBL13265402 0.95 CD40 (0.36) CD40CD40LGENPP2PHLPP2CYP1A2
SCHEMBL15423393 0.94 CD40 (0.40) CD40CD40LGENPP2PHLPP2CYP1A2
SCHEMBL13265406 0.94 CD40 (0.35) CD40CD40LGENPP2PHLPP2CYP1A2
SCHEMBL15423399 0.94 CD40 (0.37) CD40CD40LGENPP2PHLPP2CYP1A2
SCHEMBL13265247 0.93 CD40 (0.36) CD40CD40LGENPP2PHLPP2CYP1A2

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-10190009-B2 Ink composition, ink jet recording method using same, and colored material NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2019-01-29 — — US disclosed
Send feedback