SCHEMBL10646641

SCHEMBL10646641

COc1cc(/C=C/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.67
ALDH1A1 P00352 6/20 0.67
HPGD P15428 4/20 0.67
KMT2A Q03164 2/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALOX5 P09917 2/20 0.49
TDP1 Q9NUW8 2/20 0.48
STAT6 P42226 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 1/20 0.47
ATM Q13315 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
ABCB1 P08183 1/20 0.46
MAOB P27338 1/20 0.45

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
SCHEMBL10646647 1.00 KDM4E (0.67) KDM4EALDH1A1HPGDKMT2ACYP3A4
Cinepazide SCHEMBL8839976 0.93 ALDH1A1 (0.77) KDM4EALDH1A1HPGDKMT2ACYP3A4
Cinepazide SCHEMBL34092 0.93 ALDH1A1 (0.77) KDM4EALDH1A1HPGDKMT2ACYP3A4
Cinepazide SCHEMBL11009911 0.90 KDM4E (0.72) KDM4EALDH1A1HPGDKMT2ACYP3A4
Cinepazide SCHEMBL27666991 0.89 KDM4E (0.71) KDM4EALDH1A1HPGDKMT2ACYP3A4
Cinepazide SCHEMBL1062368 0.89 KDM4E (0.71) KDM4EALDH1A1HPGDKMT2ACYP3A4
SCHEMBL28790703 0.89 ALDH1A1 (0.73) KDM4EALDH1A1HPGDKMT2ACYP3A4
SCHEMBL6785718 0.89 ALDH1A1 (0.76) KDM4EALDH1A1HPGDKMT2ACYP3A4
SCHEMBL25309070 0.89 ALDH1A1 (0.80) KDM4EALDH1A1HPGDKMT2ACYP3A4
Fumaric Acid SCHEMBL11710489 0.89 KDM4E (0.69) KDM4EALDH1A1HPGDKMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0175331-B1 PIPERAZINE DERIVATIVES TERUMO KABUSHIKI KAISHA trading as TERUMO CORPORATION (JP) 1988-11-17 EP disclosed
US-4656172-A CONTROLLING OR PREVENTING CEREBRAL, CORONARY OR PERIPHIPHERAL VASCULAR DISORDER TERUMO KABUSHIKI KAISHA (JP) 1987-04-07 US disclosed
US-4656172-A CONTROLLING OR PREVENTING CEREBRAL, CORONARY OR PERIPHIPHERAL VASCULAR DISORDER TERUMO KABUSHIKI KAISHA (JP) 1987-04-07 US disclosed
EP-0175331-A1 Piperazine Derivatives TERUMO KABUSHIKI KAISHA trading as TERUMO CORPORATION (JP) 1986-03-26 EP disclosed
EP-0175331-A1 Piperazine Derivatives TERUMO KABUSHIKI KAISHA trading as TERUMO CORPORATION (JP) 1986-03-26 EP disclosed