SCHEMBL20432444

SCHEMBL20432444

Cc1ccc(Cn2c(C(C)O)nc3c2c(=O)n(CCCO)c(=O)n3C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 3/20 0.52
▸ TRPC4 Q9UBN4 2/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ ALDH1A1 P00352 5/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ TSHR P16473 3/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ TP53 P04637 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ TRPC1 P48995 1/20 0.47
▸ PLD3 Q8IV08 1/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ BRAF P15056 1/20 0.46
▸ PIK3CG P48736 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.44
▸ POLB P06746 1/20 0.44

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
SCHEMBL16027715 0.92 TRPC5 (0.61) TRPC5TRPC4KCNH2ALDH1A1TSHR
SCHEMBL19375414 0.84 TRPC5 (0.62) TRPC5TRPC4KCNH2ALDH1A1SMN1; SMN2
SCHEMBL27411457 0.84 ALDH1A1 (0.58) TRPC5TRPC4KCNH2ALDH1A1SMN1; SMN2
SCHEMBL16028564 0.84 TRPC5 (0.59) TRPC5TRPC4KCNH2ALDH1A1TSHR
SCHEMBL19374895 0.82 TRPC5 (0.60) TRPC5TRPC4KCNH2ALDH1A1SMN1; SMN2
SCHEMBL16363982 0.82 TRPC5 (0.55) TRPC5TRPC4KCNH2ALDH1A1SMN1; SMN2
SCHEMBL19505523 0.82 TRPC5 (0.59) TRPC5TRPC4KCNH2ALDH1A1SMN1; SMN2
SCHEMBL16364208 0.81 TRPC5 (0.58) TRPC5TRPC4KCNH2ALDH1A1SMN1; SMN2
SCHEMBL18833614 0.80 SMN1; SMN2 (0.63) TRPC5TRPC4KCNH2ALDH1A1SMN1; SMN2
SCHEMBL19505413 0.80 TRPC5 (0.57) TRPC5TRPC4KCNH2ALDH1A1SMN1; SMN2

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-B3 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2018-08-01 — — EP disclosed
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