SCHEMBL19003472

SCHEMBL19003472

COc1cc([N+](=O)[O-])ccc1NC(O)/C=C/c1ccc(-c2ccccc2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
ALDH1A1 P00352 9/20 0.44
GLA P06280 1/20 0.44
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
EPHX1 P07099 1/20 0.43
KCNMA1 Q12791 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL19003468 0.82 ALDH1A1 (0.62) LMNAALDH1A1GLAPKMHTT
SCHEMBL124625 0.71 HTT (0.63) LMNAALDH1A1GLAPKMHTT
SCHEMBL19003459 0.69 CXCR1 (0.51) LMNAALDH1A1HTTKCNMA1GAA
SCHEMBL7583883 0.69 LMNA (0.58) LMNAALDH1A1GLAPKMHTT
SCHEMBL13815362 0.68 LMNA (0.78) LMNAALDH1A1GLAPKMHTT
SCHEMBL22169220 0.67 LMNA (0.58) LMNAALDH1A1GLAPKMHTT
SCHEMBL3185913 0.67 HTT (0.58) LMNAALDH1A1GLAPKMHTT
SCHEMBL18985214 0.66 ALDH1A1 (0.65) LMNAALDH1A1GLAPKMHTT
SCHEMBL19003460 0.66 GAA (0.59) LMNAALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL18985269 0.66 ALDH1A1 (0.65) LMNAALDH1A1GLAPKMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017102014-A1 PROPENAMIDE THIOPHENE DERIVATIVES AS FLAVIVIRUS INHIBITORS AND THEIR USE UNIVERSITE D'AIX-MARSEILLE (FR) 2017-06-22 WO disclosed