SCHEMBL3261585

SCHEMBL3261585

C=CC([N]C(C=C)c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.36
CYP3A4 P08684 3/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
ALOX15 P16050 2/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
DPP4 P27487 2/20 0.36
F2 P00734 1/20 0.36
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
HTR2A P28223 1/20 0.33
TAAR1 Q96RJ0 1/20 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
SCHEMBL3258485 0.81 KDM4E (0.40) CYP2C19CYP3A4KDM4EMAPTALOX15
SCHEMBL8525246 0.79 ALDH1A1 (0.35) CYP2C19CYP3A4KDM4EMAPTALOX15
SCHEMBL10452869 0.78 CYP2C19 (0.36) CYP2C19CYP3A4KDM4EMAPTALOX15
SCHEMBL11766335 0.78 CYP2D6 (0.37) CYP2C19CYP3A4KDM4EMAPTALOX15
SCHEMBL488830 0.76 CYP2C19 (0.39) CYP2C19CYP3A4KDM4EMAPTALOX15
SCHEMBL30104387 0.76 CYP3A4 (0.33) CYP2C19CYP3A4KDM4EMAPTALOX15
SCHEMBL30104386 0.76 CYP3A4 (0.33) CYP2C19CYP3A4KDM4EMAPTALOX15
SCHEMBL15295377 0.76 CYP3A4 (0.33) CYP2C19CYP3A4KDM4EMAPTALOX15
SCHEMBL6889278 0.76 MIF (0.34) CYP2C19CYP3A4KDM4EMAPTALOX15
SCHEMBL1047388 0.76 CYP2C19 (0.35) CYP2C19CYP3A4KDM4EMAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5001148-A Mevinic acid derivatives E. R. SQUIBB & SONS, INC. (US) 1991-03-19 US claimed
EP-0401784-A1 Mevinic acid derivatives E.R. Squibb & Sons, Inc. (US) 1990-12-12 EP claimed
US-3960886-A Substituted N-arylanilines STERLING DRUG INC. (US) 1976-06-01 US claimed
EP-2157081-A1 Indolinones substituted in six locations, their manufacture and their application as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2010-02-24 EP disclosed
US-5001148-A Mevinic acid derivatives E. R. SQUIBB & SONS, INC. (US) 1991-03-19 US disclosed
US-5001148-A Mevinic acid derivatives E. R. SQUIBB & SONS, INC. (US) 1991-03-19 US disclosed
EP-0401784-A1 Mevinic acid derivatives E.R. Squibb & Sons, Inc. (US) 1990-12-12 EP disclosed
EP-0401784-A1 Mevinic acid derivatives E.R. Squibb & Sons, Inc. (US) 1990-12-12 EP disclosed
US-4327098-A Pharmaceutical compositions useful in the treatment of cardiovascular hypertension and containing 4-substituted-2-iminoimadazolidine compounds A. H. ROBINS COMPANY, INC. (US) 1982-04-27 US disclosed
US-4327108-A Methods useful in the treatment of cardiac arrhythmia using 4-substituted-2-iminoimidazolidine compounds A. H. ROBINS COMPANY, INC. (US) 1982-04-27 US disclosed
US-4327107-A Method useful in the treatment of sugar cataracts using 4-substituted-2-iminoimidazolidine compounds A. H. ROBINS COMPANY, INC. (US) 1982-04-27 US disclosed
US-4288447-A Antihyperglycemic 4-substituted 2-iminoimidazolidine compositions A. H. ROBINS COMPANY, INC. (US) 1981-09-08 US disclosed
US-4288591-A ANTIINFLAMMATORY, HYPOTENSIVE, HYPOGLYCEMIC A. H. ROBINS COMPANY, INC. (US) 1981-09-08 US disclosed
US-4247705-A HYPOTENSIVE, HYPOGLYCEMIC, ANTIINFLAMMATORY A. H. ROBINS COMPANY, INC. (US) 1981-01-27 US disclosed
US-4195092-A INSECTICIDES FOR TREATING MEXICAN BEAN BEETLE ELI LILLY AND COMPANY (US) 1980-03-25 US disclosed