SCHEMBL6570950

SCHEMBL6570950

[CH](CCCCc1nc(-c2cccnc2)c[nH]1)CCCc1nc(-c2cccnc2)c[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
PDGFRB P09619 1/20 0.38
CYP2A6 P11509 6/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2B6 P20813 3/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2E1 P05181 2/20 0.38
CYP19A1 P11511 2/20 0.37
METAP2 P50579 1/20 0.37
SIRT3 Q9NTG7 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 2/20 0.36
AXL P30530 1/20 0.35
PBRM1 Q86U86 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 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
SCHEMBL16458131 0.88 MAPK1 (0.40) MAPK1PDGFRBCYP2A6CYP3A4CYP2B6
SCHEMBL2323022 0.84 HRH1 (0.48) MAPK1PDGFRBCYP2A6CYP3A4CYP2B6
SCHEMBL7683895 0.82 MAPK1 (0.42) MAPK1PDGFRBCYP2A6CYP3A4CYP2B6
SCHEMBL455756 0.82 MAPK1 (0.42) MAPK1PDGFRBCYP2A6CYP3A4CYP2B6
SCHEMBL1133233 0.82 CYP2A6 (0.47) MAPK1PDGFRBCYP2A6CYP3A4CYP2B6
SCHEMBL7067440 0.81 MAPK1 (0.41) MAPK1PDGFRBCYP2A6CYP3A4CYP2B6
SCHEMBL7686070 0.79 MAPK1 (0.43) MAPK1PDGFRBCYP2A6CYP3A4CYP2B6
SCHEMBL5025500 0.79 MAPK1 (0.43) MAPK1PDGFRBCYP2A6CYP3A4CYP2B6
SCHEMBL19323015 0.76 CYP2A6 (0.46) MAPK1PDGFRBCYP2A6CYP3A4CYP2B6
SCHEMBL7066160 0.75 MAPK1 (0.43) MAPK1PDGFRBCYP2A6CYP3A4CYP2B6

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
EP-1404693-A2 C12 MODIFIED ERYTHROMYCIN MACROLIDES AND KETOLIDES HAVING ANTIBACTERIAL ACTIVITY CHIRON CORPORATION (US) 2004-04-07 EP disclosed
WO-2003004509-A2 C12 MODIFIED ERYTHROMYCIN MACROLIDES AND KETOLIDES HAVING ANTIBACTERIAL ACTIVITY CHIRON CORPORATION (US) 2003-01-16 WO disclosed