SCHEMBL29637841

SCHEMBL29637841

Nc1ccc(N=Nc2ccc(NC(=O)c3ccc(N=Nc4c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)c(N=Nc6ccccc6)c(O)c5c4N)cc3)cc2)c(N)c1.[Na].[Na]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 11/20 0.57
CYP1A2 P05177 2/20 0.49
PRMT3 O60678 1/20 0.47
EP300 Q09472 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
PRMT1 Q99873 1/20 0.47
CD40 P25942 1/20 0.44
CD40LG P29965 1/20 0.44
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
PHLPP2 Q6ZVD8 1/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
Chlorazol Black SCHEMBL31122165 0.87 ENPP2 (0.72) ENPP2CYP1A2MEN1HTTKMT2A
Chlorazol Black SCHEMBL29518699 0.87 ENPP2 (0.72) ENPP2CYP1A2MEN1HTTKMT2A
SCHEMBL29501271 0.87 ENPP2 (0.60) ENPP2CYP1A2PRMT1CD40CD40LG
SCHEMBL17751330 0.86 ENPP2 (0.61) ENPP2CYP1A2PRMT1MEN1HTT
SCHEMBL12466830 0.86 ENPP2 (0.61) ENPP2CYP1A2PRMT1MEN1HTT
SCHEMBL9360008 0.85 ENPP2 (0.56) ENPP2CYP1A2PRMT3EP300PRMT6
SCHEMBL9359995 0.85 ENPP2 (0.56) ENPP2CYP1A2PRMT3EP300PRMT6
SCHEMBL8771735 0.81 ENPP2 (0.66) ENPP2CYP1A2PRMT3EP300PRMT6
SCHEMBL29383847 0.80 THRB (0.51) ENPP2CYP1A2MEN1KMT2ATHRB
SCHEMBL9234263 0.80 ENPP2 (0.70) ENPP2CYP1A2PRMT3EP300PRMT6

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
CN-116285501-A Preparation method of ink electric conductor 华赫技术有限公司 2023-06-23 CN disclosed
CN-111094474-B Near-infrared-curable ink composition, near-infrared-curable film, method for producing near-infrared-curable film, and method for photo-molding 住友金属矿山株式会社 2022-06-07 CN disclosed