SCHEMBL7865004

SCHEMBL7865004

CCCCCCCCCCOc1cnc(-c2ccc(-c3ccc(O)cc3)cc2)nc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.63
LTA4H P09960 2/20 0.55
RAB9A P51151 7/20 0.55
NPC1 O15118 6/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
KDM4E B2RXH2 3/20 0.55
HSD17B10 Q99714 2/20 0.55
RARB P10826 4/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 3/20 0.49
STAT3 P40763 1/20 0.47
ATM Q13315 1/20 0.47
ALDH1A1 P00352 2/20 0.46
USP2 O75604 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
CYP3A4 P08684 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
SCHEMBL8436081 1.00 NR5A1 (0.63) NR5A1LTA4HRAB9ANPC1SMN1; SMN2
SCHEMBL6976554 0.98 NR5A1 (0.65) NR5A1LTA4HRAB9ANPC1SMN1; SMN2
SCHEMBL6980107 0.98 NR5A1 (0.65) NR5A1LTA4HRAB9ANPC1SMN1; SMN2
SCHEMBL10346198 0.98 NR5A1 (0.65) NR5A1LTA4HRAB9ANPC1SMN1; SMN2
SCHEMBL7061013 0.98 NR5A1 (0.65) NR5A1LTA4HRAB9ANPC1SMN1; SMN2
SCHEMBL8387949 0.98 NR5A1 (0.65) NR5A1LTA4HRAB9ANPC1SMN1; SMN2
SCHEMBL6534793 0.98 NR5A1 (0.65) NR5A1LTA4HRAB9ANPC1SMN1; SMN2
SCHEMBL7089844 0.97 NR5A1 (0.62) NR5A1LTA4HRAB9ANPC1SMN1; SMN2
SCHEMBL9228047 0.91 NR5A1 (0.69) NR5A1LTA4HRAB9ANPC1SMN1; SMN2
SCHEMBL6255603 0.91 NR5A1 (0.69) NR5A1LTA4HRAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1067122-A2 Phenylpyrimidine derivatives, process for preparing the same, liquid crystal compositions containing said derivatives as active ingredient, and liquid crystal elements using such compositions SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-01-10 EP disclosed
US-5723610-A Alcohol reactants for forming phenylpyrimidine derivatives and process for preparing said alcohols SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-03-03 US disclosed
US-5539115-A FERROELECTRIC CRYSTALS FOR OPTICAL APPARATUS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-07-23 US disclosed
EP-0435632-A2 Phenylpyrimidine derivatives, process for preparing the same, liquid crystal compositions containing said derivatives as active ingredient, and liquid crystal elements using such compositions SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-07-03 EP disclosed