SCHEMBL11846152

SCHEMBL11846152

CNS(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPSE Q9Y251 1/20 0.46
▸ TPMT P51580 1/20 0.45
▸ HPGD P15428 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ USP2 O75604 2/20 0.43
▸ HIF1A Q16665 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ SLC12A2 P55011 1/20 0.43
▸ HCAR3 P49019 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 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
SCHEMBL30241210 0.89 ALDH1A1 (0.44) HPSETPMTHPGDKDM4EALDH1A1
SCHEMBL11846815 0.89 THRB (0.44) HPSETPMTHPGDKDM4EALDH1A1
SCHEMBL28945995 0.89 ALDH1A1 (0.44) HPSETPMTHPGDKDM4EALDH1A1
SCHEMBL14879785 0.87 VCAM1 (0.51) HPSETPMTHPGDKDM4EALDH1A1
SCHEMBL573640 0.84 KDM4E (0.58) HPSETPMTHPGDKDM4EALDH1A1
SCHEMBL11843602 0.84 ALDH1A1 (0.55) TPMTHPGDKDM4EALDH1A1LMNA
SCHEMBL11850832 0.84 TPMT (0.45) HPSETPMTHPGDKDM4EALDH1A1
SCHEMBL11846360 0.83 PKM (0.60) HPGDKDM4EALDH1A1LMNANPSR1
SCHEMBL11542097 0.82 HPSE (0.56) HPSETPMTHPGDKDM4ELMNA
SCHEMBL11849419 0.81 ALDH1A1 (0.49) HPGDKDM4EALDH1A1LMNANPSR1

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-3985777-A Sulphamyl-benzoic acid derivatives LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB (DK) 1976-10-12 — — US disclosed
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