SCHEMBL14276263

SCHEMBL14276263

CCOC(=O)c1cc2cccc(Oc3ccnc(C(=O)O)c3)c2n1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 6/20 0.39
PYGL P06737 5/20 0.38
PYGM P11217 5/20 0.38
CYP1A2 P05177 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PPARG P37231 3/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36

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
SCHEMBL14276261 0.89 BRAF (0.45) P2RX3
SCHEMBL14276260 0.89 BRAF (0.35) PYGLPYGMCYP1A2MEN1KMT2A
SCHEMBL4049497 0.87 PPARG (0.41) CYP1A2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL14276284 0.83 SMN1; SMN2 (0.34) CYP1A2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL14276272 0.83 MEN1 (0.38) PYGLPYGMCYP1A2MEN1KMT2A
SCHEMBL5111493 0.80 BRAF (0.51) PYGLPYGM
SCHEMBL14276271 0.80 MAPK14 (0.39) CYP1A2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5125532 0.79 PPARG (0.48) PYGLPYGMPPARGKDM4E
SCHEMBL14276265 0.79 PIK3CA (0.40) KDM4E
SCHEMBL5119451 0.79 RAF1 (0.35) P2RX3PYGLPYGMPPARGKDM4E

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-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed