SCHEMBL13304673

SCHEMBL13304673

C=C(C)N1CCN(Cc2coc3ccc(O)cc3c2=O)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
TSHR P16473 2/20 0.57
RAB9A P51151 1/20 0.54
HSD17B10 Q99714 1/20 0.52
SIGMAR1 Q99720 2/20 0.48
KDM4E B2RXH2 1/20 0.46
HTR1A P08908 1/20 0.41
P4HB P07237 1/20 0.41
TNF P01375 1/20 0.41
MAOA P21397 1/20 0.40
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOB P27338 1/20 0.38

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
SCHEMBL13304409 0.91 ALDH1A1 (0.48) ALDH1A1TSHRRAB9AHSD17B10SIGMAR1
SCHEMBL3255333 0.90 ALDH1A1 (0.58) ALDH1A1TSHRRAB9AHSD17B10SIGMAR1
SCHEMBL3252274 0.86 ALDH1A1 (0.76) ALDH1A1TSHRRAB9AHSD17B10SIGMAR1
SCHEMBL3252433 0.83 ALDH1A1 (0.57) ALDH1A1TSHRRAB9AHSD17B10SIGMAR1
SCHEMBL3253325 0.82 ALDH1A1 (0.56) ALDH1A1TSHRRAB9AHSD17B10SIGMAR1
SCHEMBL3257338 0.81 ALDH1A1 (0.77) ALDH1A1TSHRRAB9AHSD17B10SIGMAR1
SCHEMBL3255205 0.81 ALDH1A1 (0.49) ALDH1A1TSHRRAB9AHSD17B10SIGMAR1
SCHEMBL13856761 0.78 ALDH1A1 (0.74) ALDH1A1TSHRRAB9AHSD17B10SIGMAR1
SCHEMBL13304768 0.77 ALDH1A1 (0.50) ALDH1A1TSHRRAB9AHSD17B10SIGMAR1
SCHEMBL3251466 0.73 MAOA (0.51) ALDH1A1TSHRRAB9AHSD17B10SIGMAR1

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
EP-1890672-B1 USE OF CHROMONE DERIVATIVES MERCK PATENT GMBH (DE) 2010-06-02 EP disclosed