SCHEMBL9331864

SCHEMBL9331864

Nc1cc2c(O)c(N=Nc3ccc(N=Nc4cc([N+](=O)[O-])ccc4S(=O)(=O)O)c4ccc(S(=O)(=O)O)cc34)c(S(=O)(=O)O)cc2cc1S(=O)(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ THRB P10828 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ ENPP2 Q13822 5/20 0.46
▸ CYP1A2 P05177 4/20 0.45
▸ CYP2C9 P11712 3/20 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
▸ TSHR P16473 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ CSNK2A1 P68400 1/20 0.45
▸ SENP3 Q9H4L4 3/20 0.45
▸ SENP2 Q9HC62 3/20 0.45
▸ SENP1 Q9P0U3 3/20 0.45
▸ SUMO2 P61956 2/20 0.45

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
SCHEMBL9331856 1.00 MEN1 (0.50) MEN1KMT2ATHRBTDP1ENPP2
SCHEMBL9331731 0.94 MEN1 (0.48) MEN1KMT2ATHRBTDP1ENPP2
SCHEMBL9331743 0.94 MEN1 (0.48) MEN1KMT2ATHRBTDP1ENPP2
SCHEMBL15127517 0.92 ENPP2 (0.54) MEN1KMT2ATHRBTDP1ENPP2
SCHEMBL14339183 0.88 SENP3 (0.57) MEN1KMT2ATHRBTDP1ENPP2
SCHEMBL14339122 0.87 SENP3 (0.58) MEN1KMT2ATHRBTDP1ENPP2
SCHEMBL13629440 0.85 CD40 (0.48) MEN1KMT2ATHRBTDP1ENPP2
SCHEMBL9332175 0.85 CD40 (0.57) MEN1KMT2ATHRBTDP1ENPP2
SCHEMBL9332169 0.85 CD40 (0.57) MEN1KMT2ATHRBTDP1ENPP2
SCHEMBL29635262 0.85 CD40 (0.57) MEN1KMT2ATHRBTDP1ENPP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0408195-B1 Solvent soluble dye ZENECA LTD (GB) 1994-04-27 — — EP disclosed
US-5055566-A AMINE SALTS OF DISAZO BLACK DYES HAVING GOOD SOLUBILITY IN POLAR ORGANIC SOLVENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-08 — — US disclosed
EP-0408195-A2 Solvent soluble dye ZENECA LIMITED (GB) 1991-01-16 — — EP disclosed
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