SCHEMBL2477674

SCHEMBL2477674

Cc1cc(C)c(O)c(C(=N)N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ PRSS1 P07477 3/20 0.46
▸ PRSS2 P07478 2/20 0.46
▸ PRSS3 P35030 2/20 0.46
▸ C1S P09871 1/20 0.46
▸ PLAU P00749 7/20 0.41
▸ F2 P00734 6/20 0.41
▸ F10 P00742 6/20 0.41
▸ PLG P00747 5/20 0.41
▸ PLAT P00750 5/20 0.38
▸ NR2F2 P24468 1/20 0.37
▸ SELL P14151 1/20 0.37
▸ SELP P16109 1/20 0.37
▸ SELE P16581 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37

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
SCHEMBL31324841 1.00 KDM4E (0.50) KDM4EGAAALDH1A1LMNAMAPT
SCHEMBL28022272 0.83 SELL (0.54) KDM4EGAAALDH1A1LMNAMAPT
SCHEMBL27718146 0.78 PRSS1 (0.38) KDM4EGAAALDH1A1LMNAMAPT
SCHEMBL23685779 0.78 KDM4E (0.50) KDM4EGAAALDH1A1LMNAMAPT
SCHEMBL23062880 0.74 ACHE (0.54) KDM4EGAAALDH1A1LMNAMAPT
Methylamine SCHEMBL18641326 0.73 ALDH1A1 (0.67) KDM4EGAAALDH1A1LMNAMAPT
SCHEMBL29670017 0.73 ALDH1A1 (0.48) KDM4EGAAALDH1A1LMNAMAPT
SCHEMBL28413744 0.73 ALDH1A1 (0.48) KDM4EGAAALDH1A1LMNAMAPT
SCHEMBL36529 0.72 ALDH1A1 (0.65) KDM4EGAAALDH1A1LMNAMAPT
SCHEMBL27800318 0.72 ALDH1A1 (0.65) KDM4EGAAALDH1A1LMNAMAPT

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
EP-2370438-A1 IMIDAZO [1,2A]PYRIDINE DERIVATIVES, THEIR USE AS S1P1 AGONISTS AND METHODS FOR THEIR PRODUCTION Exelixis, Inc. (US) 2011-10-05 — — EP disclosed
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