SCHEMBL8711802

SCHEMBL8711802

COc1c(C)c(C(N)=O)cc(C)c1OCCCBr

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.41
NNMT P40261 1/20 0.39
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 1/20 0.36
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 2/20 0.34
TSHR P16473 1/20 0.33
APOBEC3A P31941 1/20 0.33
HTT P42858 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TUBB4A P04350 2/20 0.33

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
SCHEMBL9510455 0.73 HTT (0.38) ALDH1A1SMN1; SMN2MAPK1LMNAHTT
SCHEMBL347496 0.72 NNMT (0.46) NNMTALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL8717093 0.70 SMN1; SMN2 (0.51) PLAUALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL1006528 0.69 ALDH1A1 (0.38) NNMTALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL4761854 0.69 TUBB4A (0.38) ALDH1A1SMN1; SMN2MAPK1LMNANCOA1
SCHEMBL11466514 0.67 GSK3B (0.42) NNMTALDH1A1SMN1; SMN2LMNANCOA1
SCHEMBL15573104 0.67 HSD17B10 (0.46) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL31012417 0.67 HSD17B10 (0.46) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL13729466 0.66 SMN1; SMN2 (0.38) NNMTALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL1545264 0.66 MAPK1 (0.68) PLAUMAPK1KMT2ACYP1A2TSHR

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-5776963-A ANTIPSYCHOTIC AGENTS HOECHST MARION ROUSSEL, INC. (US) 1998-07-07 US disclosed