SCHEMBL7862077

SCHEMBL7862077

COCCNCCOc1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.63
ALDH1A1 P00352 8/20 0.59
KDM4E B2RXH2 8/20 0.59
HPGD P15428 6/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
HSD17B10 Q99714 3/20 0.59
KMT2A Q03164 6/20 0.57
MEN1 O00255 5/20 0.57
MAPK1 P28482 2/20 0.57
TSHR P16473 2/20 0.55
ATM Q13315 1/20 0.49
LMNA P02545 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CRHBP P24387 1/20 0.48
CYP2C19 P33261 1/20 0.48
CRHR2 Q13324 1/20 0.48
NOD2 Q9HC29 1/20 0.48
BDKRB1 P46663 1/20 0.48

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
Hydrochloric Acid SCHEMBL7873984 0.95 KDM4E (0.61) HTTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL7867119 0.91 HTT (0.60) HTTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL7870660 0.90 HTT (0.56) HTTALDH1A1KDM4EHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL7866960 0.90 HTT (0.58) HTTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL7866940 0.86 HTT (0.58) HTTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL7868799 0.86 HTT (0.58) HTTALDH1A1KDM4EHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL8015362 0.86 HTT (0.56) HTTALDH1A1KDM4EHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL7868785 0.85 HTT (0.57) HTTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL8015660 0.82 HTT (0.54) HTTALDH1A1KDM4EHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL7867109 0.82 HTT (0.56) HTTALDH1A1KDM4EHPGDSMN1; SMN2

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-6300368-B1 FOR THERAPY OF ATRIAL ARRHYTHMIA MITSUI CHEMICALS, INC. (JP) 2001-10-09 US disclosed
EP-0968999-A1 Anilide derivatives and antiarrhythmic agents containing the same Mitsui Chemicals, Inc. (JP) 2000-01-05 EP disclosed