SCHEMBL7523946

SCHEMBL7523946

NOCC(O)CN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
CYP2C9 P11712 2/20 0.60
ALDH1A1 P00352 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C19 P33261 1/20 0.60
KDM4E B2RXH2 1/20 0.59
LMNA P02545 3/20 0.58
GAA P10253 2/20 0.58
ABCB1 P08183 5/20 0.57
L3MBTL1 Q9Y468 1/20 0.55
TSHR P16473 2/20 0.55
HSD17B10 Q99714 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
CACNA1G O43497 1/20 0.55
KCNH2 Q12809 1/20 0.55
HTT P42858 1/20 0.54
CYP3A4 P08684 1/20 0.53
IGF1R P08069 1/20 0.52

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
SCHEMBL11155814 0.84 TSHR (0.75) SMN1; SMN2CYP2C9ALDH1A1CYP2D6CYP2C19
SCHEMBL12858908 0.83 KDM4E (0.64) SMN1; SMN2CYP2C9ALDH1A1CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL11239580 0.82 TSHR (0.73) SMN1; SMN2CYP2C9ALDH1A1CYP2D6CYP2C19
SCHEMBL15296754 0.82 CYP2C9 (0.57) SMN1; SMN2CYP2C9ALDH1A1CYP2D6CYP2C19
SCHEMBL11481090 0.82 TSHR (0.68) ALDH1A1CYP2D6KDM4ELMNAGAA
SCHEMBL14355271 0.81 SMN1; SMN2 (0.57) SMN1; SMN2CYP2C9ALDH1A1CYP2D6CYP2C19
SCHEMBL29201698 0.81 LMNA (0.58) SMN1; SMN2CYP2C9ALDH1A1CYP2D6CYP2C19
SCHEMBL29201720 0.81 LMNA (0.58) SMN1; SMN2CYP2C9ALDH1A1CYP2D6CYP2C19
SCHEMBL12781846 0.81 KDM4E (0.66) SMN1; SMN2CYP2C9ALDH1A1CYP2D6CYP2C19
SCHEMBL7269243 0.81 KDM4E (0.66) SMN1; SMN2CYP2C9ALDH1A1CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832079-B1 ANTI-ISCHAEMIC HYDROXYLAMINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS BIOREX KUTATO FEJLESZTOE KFT (HU) 2002-03-27 EP disclosed
US-6002002-A Anti-ischaemic hydroxylamine derivatives and pharmaceutical compositions BIOREX RESEARCH & DEVELOPMENT CO. (HU) 1999-12-14 US disclosed
EP-0832079-A1 ANTI-ISCHAEMIC HYDROXYLAMINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS BIOREX KUTATO ES FEJLESZTÖ RT. (HU) 1998-04-01 EP disclosed
WO-1997000251-A1 ANTI-ISCHAEMIC HYDROXYLAMINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS BIOREX KUTATO ES FEJLESZTO RT. (HU) 1997-01-03 WO disclosed