SCHEMBL6948539

SCHEMBL6948539

COc1ccc(C(=O)CCn2ccnc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
MAPT P10636 2/20 0.62
TSHR P16473 1/20 0.62
CYP19A1 P11511 2/20 0.62
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
ATM Q13315 1/20 0.57
TBXAS1 P24557 7/20 0.54
GAA P10253 1/20 0.54
LMNA P02545 2/20 0.53
POLB P06746 1/20 0.52
HTT P42858 1/20 0.52
TP53 P04637 1/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL9266704 0.90 TBXAS1 (0.70) ALDH1A1MAPTTSHRCYP19A1MEN1
SCHEMBL9264092 0.90 TBXAS1 (0.70) ALDH1A1MAPTTSHRCYP19A1MEN1
SCHEMBL11261752 0.86 ALDH1A1 (0.64) ALDH1A1MAPTTSHRCYP19A1MEN1
SCHEMBL8021758 0.86 CYP19A1 (0.69) ALDH1A1MAPTTSHRCYP19A1
Bromide SCHEMBL27662645 0.84 CYP19A1 (0.67) ALDH1A1MAPTTSHRCYP19A1
Hydrochloric Acid SCHEMBL410723 0.84 CYP19A1 (0.67) ALDH1A1MAPTTSHRCYP19A1
SCHEMBL11257445 0.84 TBXAS1 (0.58) ALDH1A1CYP19A1KMT2ATBXAS1
SCHEMBL11153260 0.84 TBXAS1 (0.62) CYP19A1MEN1KMT2ATBXAS1LMNA
SCHEMBL11154431 0.83 PKM (0.52) MEN1KMT2ATBXAS1LMNA
SCHEMBL9850492 0.82 TBXAS1 (0.56) ALDH1A1CYP19A1TBXAS1

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 10 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 disclosed
US-5696142-A TREATING DEPRESSION, OBSESSIVE COMPULSIVE DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1997-12-09 US disclosed
US-5686447-A ANTIDEPRESSANTS, OBSESSIVE COMPULSIVE DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1997-11-11 US disclosed
US-5686483-A TREATING DEPRESSION AND OBSESSIVE COMPULSIVE DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1997-11-11 US disclosed
US-5686446-A ANTIDEPRESSANTS, OBSESSIVE COMPULSIVE DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1997-11-11 US disclosed
US-5684021-A Aminoalkyloximes for treating depression and affective disorders HOECHST MARION ROUSSEL, INC. (US) 1997-11-04 US disclosed
US-5665756-A Aminoalkyloximes useful in the treatment of depression and obsessive compulsive disorders HOECHST MARION ROUSSEL, INC. (US) 1997-09-09 US disclosed
US-5648367-A ANTIDEPRESANTS, OBSESSIVE-COMPULSIVE DISORDER HOECHST MARION ROUSSEL, INC. (US) 1997-07-15 US 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
US-4359475-A SPERMICIDES, MICROBIOCIDES OR ANTICONVULSANTS SYNTEX (U.S.A.) INC. (US) 1982-11-16 US disclosed