SCHEMBL9852507

SCHEMBL9852507

CN(C)Cc1ccc(N(C)CCN2CCNC2=C[N+](=O)[O-])o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
CHRNA1 P02708 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
ACHE P22303 2/20 0.33
MEN1 O00255 1/20 0.33
SLC22A1 O15245 1/20 0.33
ABCB11 O95342 1/20 0.33
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
TSHR P16473 1/20 0.33
ADRA2C P18825 1/20 0.33
NFKB1 P19838 1/20 0.33
CHRM3 P20309 1/20 0.33
ATP4A P20648 1/20 0.33
PTGS1 P23219 1/20 0.33
HRH2 P25021 1/20 0.33
SLC6A4 P31645 1/20 0.33
CYP2C19 P33261 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
SCHEMBL9852504 0.82 SMN1; SMN2 (0.40) SMN1; SMN2CHRNA1CHRNA3CHRNA7ACHE
SCHEMBL9869988 0.82 SMN1; SMN2 (0.40) SMN1; SMN2CHRNA1CHRNA3CHRNA7ACHE
SCHEMBL9212131 0.78 RET (0.34) ACHEBCHE
SCHEMBL9219614 0.74 ACHE (0.30) ACHEHRH3BCHE
SCHEMBL11707997 0.70 SMN1; SMN2 (0.50) SMN1; SMN2CHRNA1CHRNA3CHRNA7MEN1
SCHEMBL11812000 0.70 SMN1; SMN2 (0.50) SMN1; SMN2CHRNA1CHRNA3CHRNA7MEN1
SCHEMBL2067896 0.70 SMN1; SMN2 (0.50) SMN1; SMN2CHRNA1CHRNA3CHRNA7KMT2A
SCHEMBL2067894 0.70 SMN1; SMN2 (0.50) SMN1; SMN2CHRNA1CHRNA3CHRNA7KMT2A
SCHEMBL11810271 0.67 SMN1; SMN2 (0.52) SMN1; SMN2CHRNA1CHRNA3CHRNA7MEN1
SCHEMBL11709538 0.67 SMN1; SMN2 (0.52) SMN1; SMN2CHRNA1CHRNA3CHRNA7MEN1

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-5075301-A FURAN DERIVATIVES USEFUL FOR THE TREATMENT OF GASTRO-INTESTINAL DISORDERS KYOWA HAKKO KOGYO, CO., LTD. (JP) 1991-12-24 US disclosed
EP-0413343-A2 Furan derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-02-20 EP disclosed