SCHEMBL9877609

SCHEMBL9877609

CCOC(=O)C(C)(C)n1ncc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.48
TSHR P16473 3/20 0.48
NPC1 O15118 2/20 0.48
NFKB1 P19838 2/20 0.48
RAB9A P51151 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 1/20 0.48
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 2/20 0.46
TP53 P04637 1/20 0.46
STAT1 P42224 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GPR119 Q8TDV5 8/20 0.44
PTGIR P43119 2/20 0.44
HTT P42858 1/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL9877095 0.75 SMN1; SMN2 (0.76) SMN1; SMN2ALDH1A1HPGDTSHRNPC1
SCHEMBL25380972 0.75 FGFR3 (0.47) SMN1; SMN2ALDH1A1HPGDTSHRNPC1
SCHEMBL8947161 0.75 TP53 (0.46) SMN1; SMN2ALDH1A1TSHRNPC1MAPT
SCHEMBL9877332 0.74 MAPT (0.54) SMN1; SMN2ALDH1A1HPGDTSHRNPC1
SCHEMBL16985359 0.73 CYP4F2 (0.39) SMN1; SMN2ALDH1A1HPGDTSHRNPC1
SCHEMBL20028106 0.72 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1HPGDTSHRNPC1
SCHEMBL21850227 0.71 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1HPGDTSHRNPC1
SCHEMBL9877279 0.70 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1HPGDTSHRNPC1
SCHEMBL2394924 0.70 POLB (0.46) SMN1; SMN2ALDH1A1HPGDTSHRNPC1
SCHEMBL9878548 0.69 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1HPGDTSHRNPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4988725-A Cardiovascular disorders, antiarrhythmia agents STERLING DRUG INC. (US) 1991-01-29 US disclosed
EP-0388654-A2 Azole-1-alkanamides as antiarrhythmic agents and preparation thereof STERLING DRUG INC. (US) 1990-09-26 EP disclosed
US-4916150-A 1H-pyrazole-1-alkanamines antiarrhythmic compositions and use STERLING DRUG INC. (US) 1990-04-10 US disclosed