SCHEMBL19522724

SCHEMBL19522724

CCc1cnc(CNCc2cc(C(O)O)cc(CO)n2)n1Cc1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.36
▸ ENPP2 Q13822 5/20 0.35
▸ TP53 P04637 3/20 0.34
▸ POLB P06746 3/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CNR2 P34972 5/20 0.34
▸ CNR1 P21554 4/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ AGTR1 P30556 2/20 0.33

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
SCHEMBL17544407 0.86 AGTR1 (0.44) THRBTP53AGTR1
SCHEMBL17549942 0.84 TP53 (0.39) THRBTP53POLBMAPTAGTR1
SCHEMBL17545002 0.83 THRB (0.40) THRBTP53POLBMAPTRAB9A
SCHEMBL19522734 0.80 THRB (0.36) THRBENPP2TP53POLBMAPT
SCHEMBL17549892 0.77 AGTR1 (0.44) TP53AGTR1
SCHEMBL17544778 0.75 TP53 (0.39) TP53POLBMAPTRAB9AAGTR1
SCHEMBL17683843 0.73 TP53 (0.40) TP53POLBMAPTRAB9A
SCHEMBL17544604 0.71 PDE6D (0.42) TP53MAPTRAB9AAGTR1
SCHEMBL17544765 0.70 TP53 (0.40) TP53POLBMAPTRAB9A
SCHEMBL17670473 0.69 AGTR1 (0.41) ENPP2TP53MAPTCNR2AGTR1

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
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
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