SCHEMBL6943201

SCHEMBL6943201

COc1ccc(C(CCn2ccnc2)=NOCCN)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ATM Q13315 1/20 0.50
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
CYP19A1 P11511 1/20 0.46
TBXAS1 P24557 6/20 0.45
TBXA2R P21731 3/20 0.44
SLC6A4 P31645 4/20 0.44
HTT P42858 1/20 0.43
MAOB P27338 1/20 0.43
QPCT Q16769 1/20 0.43
LMNA P02545 1/20 0.42

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
Fumaric Acid SCHEMBL6949525 0.92 MEN1 (0.48) MEN1KMT2AATMALDH1A1MAPT
Fumaric Acid SCHEMBL6949519 0.92 MEN1 (0.48) MEN1KMT2AATMALDH1A1MAPT
Fumaric Acid SCHEMBL8671252 0.91 MEN1 (0.48) MEN1KMT2AATMALDH1A1MAPT
Fumaric Acid SCHEMBL8671251 0.91 MEN1 (0.48) MEN1KMT2AATMALDH1A1MAPT
SCHEMBL6946854 0.86 SLC6A4 (0.54) MEN1KMT2ACYP19A1TBXAS1TBXA2R
SCHEMBL6948560 0.86 SLC6A4 (0.54) ALDH1A1TSHRCYP19A1TBXAS1TBXA2R
SCHEMBL6950410 0.86 TBXA2R (0.58) CYP19A1TBXAS1TBXA2R
Hydrochloric Acid SCHEMBL8666242 0.85 SLC6A4 (0.53) MEN1KMT2ACYP19A1TBXAS1TBXA2R
SCHEMBL6948590 0.83 CYP1A2 (0.56) MEN1KMT2AATMTBXAS1TBXA2R
Hydrochloric Acid SCHEMBL6949500 0.83 CYP1A2 (0.55) MEN1KMT2AATMTBXAS1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709378-B1 Aminoalkyloximes, a process for their preparation, their use as medicaments and intermediate compounds AVENTIS PHARMA INC (US) 2003-03-19 EP claimed
EP-0709378-B1 Aminoalkyloximes, a process for their preparation, their use as medicaments and intermediate compounds AVENTIS PHARMA INC (US) 2003-03-19 EP disclosed
EP-0709378-A2 Aminoalkyloximes, a process for their preparation, their use as medicaments and intermediate compounds HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1996-05-01 EP disclosed