SCHEMBL4858622

SCHEMBL4858622

C=CCc1cc(-c2ccccc2Nc2ccccn2)c(OC)cc1OCCN1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LTA4H P09960 1/20 0.39
▸ FGFR1 P11362 2/20 0.38
▸ FGFR2 P21802 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ HTR2C P28335 1/20 0.37
▸ MCHR1 Q99705 5/20 0.37
▸ EGFR P00533 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 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
SCHEMBL4858610 0.79 MCHR1 (0.44) KDM4EALDH1A1LTA4HPOLBMCHR1
SCHEMBL4858606 0.76 NOS3 (0.47) KDM4EALDH1A1LTA4HPOLBHTR2C
SCHEMBL221161 0.75 NOS1 (0.57) KDM4EALDH1A1POLBMCHR1
SCHEMBL27981558 0.74 KDM4E (0.44) KDM4EALDH1A1LTA4HPOLBMCHR1
SCHEMBL14970720 0.64 KDM4E (0.60) KDM4EALDH1A1LTA4H
SCHEMBL7080400 0.64 NOS1 (0.68) POLBMCHR1
SCHEMBL12661473 0.63 POLB (0.73) ALDH1A1LTA4HPOLBHTR2C
SCHEMBL14970454 0.63 KDM4E (0.59) KDM4EALDH1A1
SCHEMBL7982480 0.62 MAPK10 (0.69) KDM4EALDH1A1EGFR
SCHEMBL5572479 0.61 NOS1 (0.56) ALDH1A1

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-1910362-A1 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 — — EP disclosed
WO-2007019345-A1 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 — — WO disclosed
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