SCHEMBL268809

SCHEMBL268809

COc1c(N)c(C=O)cc(C)c1CCl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ERN1 O75460 4/20 0.33
MCL1 Q07820 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TUBB1 Q9H4B7 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PRKDC P78527 1/20 0.31
TUBB4A P04350 2/20 0.31
TUBB P07437 2/20 0.31
TUBA3C P0DPH7 2/20 0.31
TUBA1B P68363 2/20 0.31
TUBA4A P68366 2/20 0.31
TUBB4B P68371 2/20 0.31
TUBB3 Q13509 2/20 0.31
TUBB2A Q13885 2/20 0.31

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
SCHEMBL269847 0.89 ALDH1A1 (0.34) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL268061 0.78 ALDH1A1 (0.30) ALDH1A1
SCHEMBL268157 0.78 ERN1 (0.40) ERN1
SCHEMBL268342 0.75
SCHEMBL267265 0.74 ERN1 (0.40) ALDH1A1KDM4EERN1
SCHEMBL267180 0.74
SCHEMBL1049768 0.71 ALDH1A1 (0.38) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL7651200 0.71 ALDH1A1 (0.38) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL1633951 0.69 CA1 (0.42) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL7829519 0.69 TUBB1 (0.57) ALDH1A1KDM4ETSHRTDP1ERN1

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
US-8134015-B2 Compound inhibiting in vivo phosphorous transport and medicine containing the same KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-03-13 US disclosed