SCHEMBL19375500

SCHEMBL19375500

B=C1N(CCCO)C(=O)c2c(nc(-c3ccccc3OC(F)(F)F)n2Cc2ccc(F)cc2)N1C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 1/20 0.37
▸ USP1 O94782 1/20 0.36
▸ WDR48 Q8TAF3 1/20 0.36
▸ TRPC5 Q9UL62 2/20 0.36
▸ TRPC1 P48995 1/20 0.36
▸ TRPC4 Q9UBN4 1/20 0.36
▸ P2RX3 P56373 4/20 0.35
▸ SCN9A Q15858 2/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ CHRM5 P08912 1/20 0.34
▸ HSD11B1 P28845 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ ACHE P22303 3/20 0.32
▸ DPP4 P27487 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
SCHEMBL19375271 0.81 TRPC5 (0.36) TRPC5P2RX3CHRM5LMNAMAPT
SCHEMBL19375117 0.77 PDE5A (0.36) TRPC5TRPC1TRPC4MAPTACHE
SCHEMBL19375040 0.76 RAB9A (0.36) P2RX3LMNAMAPTTP53ACHE
SCHEMBL19375187 0.75 TRPC4 (0.44) TRPC5TRPC1TRPC4P2RX3SCN9A
SCHEMBL16076074 0.74 TRPC5 (0.59) TRPC5TRPC1TRPC4LMNAMAPT
SCHEMBL19375632 0.70 PDE5A (0.35) USP1TRPC5TRPC1TRPC4P2RX3
SCHEMBL19375219 0.70 TRPC4 (0.46) TRPC5TRPC1TRPC4P2RX3
SCHEMBL19375380 0.69 MEN1 (0.41) MDM2P2RX3
SCHEMBL18835220 0.69 DPP4 (0.37) MDM2SCN9ASCN5ACHRM5HSD11B1
SCHEMBL16028967 0.68 TRPC5 (0.58) TRPC5TRPC1TRPC4LMNAMAPT

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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