SCHEMBL9014882

SCHEMBL9014882

CS(=O)(=O)OCCOc1cnc2c(n1)CCCC2

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MMP9 P14780 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL9014791 0.93 KDM4E (0.44) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL9014730 0.76 CYP1A2 (0.32)
SCHEMBL9014905 0.76 THRB (0.35) ALDH1A1
SCHEMBL9014958 0.74 CYP1A2 (0.31)
SCHEMBL9014769 0.73 CYP1A2 (0.30)
SCHEMBL9014694 0.73 LOX (0.35)
SCHEMBL28778237 0.71 NPC1 (0.38)
SCHEMBL20163402 0.68 KDM4E (0.38) KDM4EUSP2ALDH1A1LMNAMMP9
Ethane Dimethane Sulfonate SCHEMBL17022719 0.65 USP2 (0.63) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL9014975 0.65 KDM4E (0.37) KDM4EUSP2ALDH1A1LMNAMMP9

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
US-5578596-A TREATMENT OF SEROTONERGIC NEURON RELATED DISEASES, MOTION SICKNESS, ANXIXETY, DEPRESSION ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1996-11-26 US disclosed
EP-0668276-A1 2-ALKOXY-5,6,7,8-TETRAHYDROQUINOXALINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-08-23 EP disclosed