SCHEMBL14908004

SCHEMBL14908004

CNc1cc(NS(=O)(=O)c2ccc(C)cc2)nc(C)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.68
▸ ALDH1A1 P00352 2/20 0.68
▸ LMNA P02545 1/20 0.68
▸ HTR6 P50406 4/20 0.62
▸ MAPT P10636 2/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ APEX1 P27695 1/20 0.59
▸ BLM P54132 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ PDE4A P27815 1/20 0.58
▸ AGO2 Q9UKV8 1/20 0.58
▸ HSD11B1 P28845 1/20 0.51
▸ POLB P06746 3/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ FFAR4 Q5NUL3 1/20 0.50

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
SCHEMBL7836254 0.89 HTR6 (0.76) KDM4EALDH1A1LMNAHTR6MAPT
SCHEMBL7835135 0.77 HTR6 (1.00) KDM4EALDH1A1LMNAHTR6MAPT
SCHEMBL7824884 0.76 HTR6 (0.74) KDM4EALDH1A1LMNAHTR6MAPT
SCHEMBL678897 0.76 HTR6 (1.00) KDM4EALDH1A1LMNAHTR6MAPT
SCHEMBL7824099 0.76 HTR6 (0.74) KDM4EALDH1A1LMNAHTR6MAPT
SCHEMBL7837566 0.75 HTR6 (0.74) KDM4EALDH1A1HTR6MAPTCYP3A4
Hydrochloric Acid SCHEMBL8054947 0.75 MAPT (1.00) KDM4EALDH1A1LMNAHTR6MAPT
SCHEMBL1828300 0.74 PDE4A (0.74) KDM4EALDH1A1LMNAMAPTPDE4A
Sulfisomidine SCHEMBL34791 0.74 PDE4A (1.00) KDM4EALDH1A1LMNAHTR6MAPT
SCHEMBL7836431 0.74 ALDH1A1 (0.71) KDM4EALDH1A1LMNAHTR6MAPT

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
WO-2013063269-A2 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY (US) 2013-05-02 — — WO disclosed
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