SCHEMBL27768368

SCHEMBL27768368

NC(=O)Oc1ccccc1-c1cccc(Oc2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.47
F2 P00734 10/20 0.47
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
ST14 Q9Y5Y6 1/20 0.46
CTNNB1 P35222 1/20 0.41
FFAR4 Q5NUL3 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B14 Q9BPX1 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38
SCN9A Q15858 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
SCHEMBL27768102 0.83 TGFBR1 (0.50)
SCHEMBL27768366 0.80 F2 (0.47) F10F2PRSS1PRSS2PRSS3
SCHEMBL27747197 0.77 ALDH1A1 (0.40) MEN1KMT2ASCN9A
SCHEMBL27747194 0.74 ALDH1A1 (0.43) MEN1KMT2ASMN1; SMN2SCN9A
SCHEMBL16511926 0.74 F2 (0.48) F10F2PRSS1PRSS2PRSS3
SCHEMBL9629071 0.72 CTNNB1 (0.61) CTNNB1MEN1KMT2ASMN1; SMN2
SCHEMBL4705063 0.72 GRM4 (0.48) F2KMT2ASMN1; SMN2
SCHEMBL29728528 0.72 KMT2A (0.46) CTNNB1MEN1KMT2ASMN1; SMN2
SCHEMBL725893 0.70 OPRM1 (0.62) F10F2PRSS1PRSS2PRSS3
SCHEMBL2521152 0.70 LTA4H (0.58) F10F2PRSS1PRSS2PRSS3

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
CN-101466710-B Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC 2013-05-29 CN disclosed
CN-101466710-A Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2009-06-24 CN disclosed