SCHEMBL7408604

SCHEMBL7408604

Cc1cccc(C)c1NC(=O)c1ccc(C[N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 3/20 0.49
S1PR4 O95977 3/20 0.48
KDM4E B2RXH2 1/20 0.47
RORC P51449 1/20 0.46
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
HSP90AA1 P07900 1/20 0.44
KCNMA1 Q12791 1/20 0.44
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL7367686 0.81 RORC (0.63) HTTSMN1; SMN2LMNAS1PR4RORC
Hydrochloric Acid SCHEMBL9523346 0.79 HDAC3 (0.54) HTTSMN1; SMN2LMNAS1PR4KDM4E
SCHEMBL9523014 0.76 S1PR4 (0.69) SMN1; SMN2S1PR4KDM4ERAB9ANPC1
SCHEMBL9522743 0.75 S1PR4 (0.58) HTTS1PR4KDM4ERAB9ANPC1
SCHEMBL4138460 0.74 POLB (0.67) SMN1; SMN2LMNAS1PR4KDM4ERAB9A
SCHEMBL613081 0.74 HTT (0.49) HTTSMN1; SMN2S1PR4KDM4ERAB9A
SCHEMBL10599217 0.74 MEN1 (0.64) HTTSMN1; SMN2LMNAS1PR4RAB9A
SCHEMBL8521515 0.74 MEN1 (0.60) HTTSMN1; SMN2LMNAS1PR4RORC
SCHEMBL9232101 0.74 ALOX5 (0.66) HTTSMN1; SMN2LMNAKDM4ERORC
SCHEMBL10602333 0.74 SMN1; SMN2 (0.55) HTTSMN1; SMN2LMNAS1PR4KDM4E

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
EP-0757670-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed