SCHEMBL7044776

SCHEMBL7044776

Cc1ccc(Nc2ccc(-c3ccc(Nc4ccc(C)cc4)cc3-c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c(-c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.47
HPGD P15428 2/20 0.42
APP P05067 2/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
CYP19A1 P11511 1/20 0.38
CYP11B2 P19099 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GBA1 P04062 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ESR1 P03372 1/20 0.36
SNCA P37840 1/20 0.35

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
SCHEMBL17997452 0.86 PTGS2 (0.57) PTGS2HPGDNPC1RAB9ACYP19A1
SCHEMBL2528716 0.86 PTGS2 (0.59) PTGS2HPGDNPC1RAB9ACYP19A1
SCHEMBL17997442 0.85 PTGS2 (0.56) PTGS2HPGDNPC1RAB9ACYP19A1
SCHEMBL17997476 0.84 PTGS2 (0.49) PTGS2HPGDNPC1RAB9AMEN1
SCHEMBL6820125 0.83 HPGD (0.57) PTGS2HPGDNPC1RAB9ACYP19A1
SCHEMBL7044777 0.83 PTGS2 (0.43) PTGS2HPGDNPC1RAB9ACYP19A1
SCHEMBL2528717 0.82 PTGS2 (0.57) PTGS2HPGDNPC1RAB9ACYP19A1
SCHEMBL18173610 0.82 HPGD (0.64) PTGS2HPGDAPPNPC1RAB9A
SCHEMBL6425012 0.80 HPGD (0.61) PTGS2HPGDAPPNPC1RAB9A
SCHEMBL18389550 0.79 HPGD (0.60) PTGS2HPGDAPPNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004059604-A2 METHOD AND SYSTEM FOR FABRICATING AN OLED HONEYWELL INTERNATIONAL, INC. (US) 2004-07-15 WO disclosed