SCHEMBL19522732

SCHEMBL19522732

Cc1cc(C(O)O)cc(CNCc2nnc(C(C)O)n2Cc2ccc(F)cc2)n1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.34
▸ CES2 O00748 1/20 0.34
▸ ENPP2 Q13822 5/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALOX5AP P20292 1/20 0.32
▸ GNRHR P30968 1/20 0.32
▸ PHGDH O43175 1/20 0.32
▸ TP53 P04637 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ P2RX3 P56373 2/20 0.31
▸ CNR1 P21554 2/20 0.31
▸ CNR2 P34972 2/20 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
SCHEMBL17544553 0.86 MMP13 (0.40) CES2GNRHRTP53MAPT
SCHEMBL17544963 0.84 P2RX3 (0.41) POLBCES2ENPP2TP53MAPT
SCHEMBL17683831 0.79 MMP13 (0.40) CES2GNRHRTP53
SCHEMBL17544838 0.79 AGTR1 (0.36) ENPP2GNRHRTP53MAPTP2RX3
SCHEMBL17544481 0.75 P2RX3 (0.39) POLBENPP2TP53MAPTP2RX3
SCHEMBL17544846 0.73 MMP13 (0.42) POLBCES2MEN1KMT2ATP53
SCHEMBL17544535 0.72 PDE6D (0.42) CES2TP53
SCHEMBL17680451 0.72 GNRHR (0.38) POLBENPP2GNRHRTP53MAPT
SCHEMBL17544571 0.72 RAB9A (0.37) ENPP2ALOX5AP
SCHEMBL17544934 0.71 TP53 (0.41) POLBCES2TP53MAPTP2RX3

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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