SCHEMBL11561933

SCHEMBL11561933

Cc1nc2cc(S(=O)(=O)C(F)F)c([N+](=O)[O-])cc2n1C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 5/20 0.40
▸ LMNA P02545 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ HTT P42858 3/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ POLB P06746 3/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ GALR2 O43603 1/20 0.33
▸ HPGD P15428 2/20 0.32
▸ EPAS1 Q99814 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6199167 0.82 KDM4E (0.53) GAAMAPTLMNAKDM4EHTT
SCHEMBL31613168 0.76 KDM4E (0.46) CYP1A2MAPTLMNAKDM4EHTT
SCHEMBL11557995 0.73 CYP1A2 (0.69) CYP1A2GAAMAPTLMNAKDM4E
SCHEMBL30896394 0.73 LMNA (0.46) CYP1A2MAPTLMNAKDM4EHTT
SCHEMBL11561483 0.67 KDM4E (0.46) MAPTLMNAKDM4EHTTALDH1A1
SCHEMBL30896312 0.66 KDM4E (0.40) GAAMAPTLMNAKDM4EHTT
SCHEMBL588563 0.65 RAB9A (0.62) MAPTLMNAKDM4EHTTNPSR1
SCHEMBL2481608 0.65 RAB9A (0.52) GAAMAPTLMNAKDM4EHTT
SCHEMBL13916682 0.65 KDM4E (0.69) CYP1A2MAPTLMNAKDM4EHTT
Ammonia Solution, Strong SCHEMBL20358007 0.64 RAB9A (0.60) MAPTLMNAKDM4EHTTNPSR1

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-4177057-A PREEMERGENT OR POSTEMERGENT SELECTIVITY UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1979-12-04 — — US disclosed
Send feedback