SCHEMBL9733848

SCHEMBL9733848

Oc1c(Cl)cc(Cl)c(O)c1CN1CCCN(Cc2c(O)c(Cl)cc(Cl)c2O)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 15/20 0.48
HIF1A Q16665 9/20 0.48
HSD17B10 Q99714 6/20 0.48
CASP7 P55210 5/20 0.48
KMT2A Q03164 4/20 0.48
POLB P06746 4/20 0.48
MEN1 O00255 3/20 0.48
MAPT P10636 3/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 2/20 0.48
LMNA P02545 2/20 0.48
NPC1 O15118 2/20 0.48
ESR2 Q92731 2/20 0.48
USP2 O75604 1/20 0.48
EGFR P00533 1/20 0.48
ESR1 P03372 1/20 0.48
ERBB2 P04626 1/20 0.48
CYP1A2 P05177 1/20 0.48
LCK P06239 1/20 0.48
FYN P06241 1/20 0.48

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
SCHEMBL9733496 0.83 KDM4E (0.47) HPGDHIF1AKMT2APOLBMEN1
SCHEMBL9733716 0.82 KDM4E (0.47) HPGDHIF1AHSD17B10CASP7KMT2A
SCHEMBL9733707 0.80 KDM4E (0.43) HPGDHIF1AHSD17B10CASP7KMT2A
SCHEMBL9734073 0.79 ALDH1A1 (0.61) HPGDHIF1AHSD17B10KMT2APOLB
SCHEMBL9734031 0.78 KDM4E (0.42) HPGDHIF1AHSD17B10CASP7KMT2A
SCHEMBL9734014 0.75 KDM4E (0.42) HPGDHIF1AHSD17B10KMT2APOLB
SCHEMBL9734077 0.73 GAA (0.41) HPGDHIF1AHSD17B10KMT2APOLB
SCHEMBL9733705 0.73 ALDH1A1 (0.62) HSD17B10POLBMAPTTSHRMAPK1
SCHEMBL9733734 0.73 ALDH1A1 (0.64) HPGDHIF1AHSD17B10POLBMAPT
SCHEMBL9733787 0.71 GAA (0.42) HPGDHIF1AHSD17B10KMT2APOLB

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