SCHEMBL8206526

SCHEMBL8206526

COc1cc(CNNN=CN2CCNCC2)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.43
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
BACE1 P56817 2/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
HRH2 P25021 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR2B P41595 1/20 0.39
LMNA P02545 2/20 0.39
KDM1A O60341 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL8205184 0.79 SIGMAR1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5996543 0.75 TACR1 (0.42) TACR1KDM4EALDH1A1HTR2ASLC6A4
SCHEMBL5998249 0.71
SCHEMBL1889066 0.70 KDM4E (0.67) KDM4EALDH1A1POLBSLC6A4OPRK1
Hydrochloric Acid SCHEMBL4811662 0.69 KDM4E (0.65) KDM4EALDH1A1POLBSLC6A4OPRK1
Hydrochloric Acid SCHEMBL9620879 0.69 KDM4E (0.65) KDM4EALDH1A1POLBSLC6A4OPRK1
SCHEMBL7433455 0.69 KMT2A (0.59) KDM4EALDH1A1POLBLMNAMEN1
SCHEMBL7297538 0.68 SLC6A4 (0.49) TACR1KDM4EALDH1A1HTR2ASLC6A4
Hydrochloric Acid SCHEMBL9780460 0.67 APOBEC3A (0.50) TACR1KDM4EALDH1A1HTR2ASLC6A4
SCHEMBL10567221 0.66 SIGMAR1 (0.53) KDM4EALDH1A1HTR2ASLC6A4OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973780-A1 ANTIBACTERIAL SUBSTITUTED 7-ACYLAMINO -3-(METHYLHYDRAZONO) METHYL-CEPHALOSPORINS AND INTERMEDIATES BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 2000-01-26 EP disclosed
WO-1998043981-A1 ANTIBACTERIAL SUBSTITUTED 7-ACYLAMINO-3-(METHYLHYDRAZONO)METHYL -CEPHALOSPORINS AND INTERMEDIATES BIOCHEMIE GESELLSCHAFT MBH (AT) 1998-10-08 WO disclosed