SCHEMBL18218137

SCHEMBL18218137

Cc1cc(N=Nc2ccc3cc(S(=O)(=O)O)cc(C)c3c2O)c(OCCO)cc1N=Nc1ccccc1S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 6/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ HTT P42858 1/20 0.41
▸ PHLPP2 Q6ZVD8 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ MAPK1 P28482 4/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ THRB P10828 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ BRCA1 P38398 2/20 0.38
▸ RECQL P46063 2/20 0.38
▸ BLM P54132 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ APP P05067 1/20 0.38

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
SCHEMBL18218115 0.85 ALDH1A1 (0.49) ENPP2MEN1KMT2AHTTPHLPP2
SCHEMBL18218143 0.77 ENPP2 (0.46) ENPP2MEN1KMT2AHTTALDH1A1
SCHEMBL19184577 0.75 ALDH1A1 (0.41) ENPP2MEN1KMT2AHTTPHLPP2
SCHEMBL18218136 0.75 MEN1 (0.44) ENPP2MEN1KMT2AHTTPHLPP2
SCHEMBL19184540 0.75 ENPP2 (0.50) ENPP2MEN1KMT2AHTTPHLPP2
SCHEMBL15935139 0.73 CYP1A2 (0.41) ENPP2MEN1KMT2AMAPTAPP
SCHEMBL15385556 0.73 ENPP2 (0.52) ENPP2MEN1KMT2APHLPP2ALDH1A1
SCHEMBL15385536 0.73 ENPP2 (0.52) ENPP2MEN1KMT2APHLPP2ALDH1A1
SCHEMBL15385545 0.73 ENPP2 (0.38) ENPP2MEN1KMT2AMAPTAPP
SCHEMBL15935155 0.73 ENPP2 (0.51) ENPP2MEN1KMT2APHLPP2ALDH1A1

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-20160326384-A1 HIGH FIXATION INK COMPOSITION FOR DIGITAL TEXTILE PRINTING EVERLIGHT CHEMICAL INDUSTRIAL CORPORATION (TW) 2016-11-10 — — US disclosed
Send feedback