SCHEMBL19375051

SCHEMBL19375051

CC(C)c1cccc(-c2nc3c(n2Cc2ccc(F)cc2)C(=O)N(CCCO)C(O)N3C)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 3/20 0.38
▸ TP53 P04637 1/20 0.37
▸ P2RX3 P56373 3/20 0.36
▸ P2RX7 Q99572 7/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ RGS4 P49798 1/20 0.33
▸ RGS8 P57771 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32

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
SCHEMBL21316348 0.85 ALDH1A1 (0.40) TP53P2RX7LMNAMAPT
SCHEMBL19505584 0.84 P2RX7 (0.39) P2RX3P2RX7RGS4RGS8
SCHEMBL18834622 0.84 P2RX3 (0.35) P2RX3
SCHEMBL18835230 0.81 ALDH1A1 (0.41) TP53P2RX3P2RX7LMNAMAPT
SCHEMBL20432069 0.80 TRPC5 (0.36) MDM2TP53P2RX3P2RX7LMNA
SCHEMBL19505582 0.80 TRPC5 (0.37) MDM2P2RX3P2RX7LMNAMAPT
SCHEMBL19375039 0.80 RAB9A (0.36) MDM2TP53P2RX3P2RX7LMNA
SCHEMBL21499640 0.80 MDM2 (0.38) MDM2TP53P2RX3
SCHEMBL18834436 0.78 PPARG (0.36) P2RX3P2RX7LMNAMAPTL3MBTL1
SCHEMBL20432432 0.77 PDE5A (0.37) P2RX3RGS4RGS8

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-2970303-B9 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-09-20 — — EP disclosed
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