SCHEMBL31168484

SCHEMBL31168484

Cc1cnc(CCCO)c(O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TKT P29401 1/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.32
▸ SELL P14151 1/20 0.32
▸ SELP P16109 1/20 0.32
▸ SELE P16581 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ TNKS2 Q9H2K2 1/20 0.32
▸ CCR1 P32246 1/20 0.31
▸ CCR5 P51681 1/20 0.31

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
SCHEMBL15054566 0.80 ALDH1A1 (0.42) KDM4ENPC1TP53POLBNFKB1
SCHEMBL10918083 0.80 ATM (0.39) KDM4ENPC1TP53POLBNFKB1
SCHEMBL31168519 0.78 S100A9 (0.38) MAPK1KCNJ5KCNJ3
SCHEMBL31168516 0.78 S100A9 (0.38) MAPK1KCNJ5KCNJ3
SCHEMBL31168640 0.78 AGBL2 (0.38) KCNJ5KCNJ3
SCHEMBL24925495 0.76 KDM4E (0.40) KDM4ENPC1TP53POLBNFKB1
SCHEMBL4277341 0.73 TKT (0.48) GCKTKTHCAR2TNKS2NOS3
SCHEMBL31168612 0.71 KDM4E (0.41) KDM4ESMN1; SMN2MAPT
SCHEMBL8664688 0.70 MAPT (0.35) KDM4EPOLBMAPK1CCR1CCR5
SCHEMBL6369030 0.68 NOS3 (0.41) KDM4ETP53SMN1; SMN2TKTCCR1

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
WO-2024216164-A1 N2-((5-HYDROXY)-2-PYRIDYL)-PYRIDINE-2,4-DIAMINE DERIVATIVES AS EHMT1/2 MODULATORS FOR THE TREATMENT OF CANCER TANGO THERAPEUTICS, INC. (US) 2024-10-17 — — WO disclosed
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