SCHEMBL9733496

SCHEMBL9733496

Oc1c(Cl)cc(CN2CCCN(Cc3cc(Cl)c(O)c(Cl)c3)C2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DBH P09172 1/20 0.46
ALDH1A1 P00352 4/20 0.44
GAA P10253 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MPO P05164 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
HRH3 Q9Y5N1 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
ACLY P53396 1/20 0.40
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
HIF1A Q16665 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL9733705 0.88 ALDH1A1 (0.62) KDM4EPOLBSMN1; SMN2DBHALDH1A1
SCHEMBL6568587 0.87 POLB (0.62) KDM4EPOLBSMN1; SMN2ALDH1A1GAA
SCHEMBL9733734 0.85 ALDH1A1 (0.64) KDM4EPOLBSMN1; SMN2ALDH1A1GAA
SCHEMBL9733848 0.83 HPGD (0.48) KDM4EPOLBSMN1; SMN2ALDH1A1GAA
SCHEMBL9734929 0.78 KDM4E (0.51) KDM4EALDH1A1GAATDP1MPO
SCHEMBL9734073 0.77 ALDH1A1 (0.61) KDM4EPOLBALDH1A1GAATDP1
SCHEMBL9733716 0.77 KDM4E (0.47) KDM4EPOLBSMN1; SMN2ALDH1A1GAA
SCHEMBL9734058 0.77 ALDH1A1 (0.56) KDM4EPOLBALDH1A1GAATDP1
SCHEMBL9734743 0.75 KDM4E (0.45) KDM4ESMN1; SMN2DBHALDH1A1GAA
SCHEMBL9733983 0.74 MAPT (0.65) KDM4EALDH1A1GAATDP1MPO

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
US-5106975-A Hexahydropyrimidine derivatives ETHYL PETROLEUM ADDITIVES, INC. (US) 1992-04-21 US disclosed
EP-0434185-A2 Hexahydropyrimidine derivatives ETHYL PETROLEUM ADDITIVES, INC. (US) 1991-06-26 EP disclosed