SCHEMBL18834056

SCHEMBL18834056

C=C/C(=C\C=C(/C)Cl)Cn1c(Oc2ccccc2Cl)nc2c1c(=O)n(CCCO)c(=O)n2CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TRPC4 Q9UBN4 2/20 0.40
▸ TRPC5 Q9UL62 2/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ TRPC1 P48995 1/20 0.37
▸ NCOA1 Q15788 1/20 0.37
▸ NCOA3 Q9Y6Q9 1/20 0.37
▸ ADORA3 P0DMS8 3/20 0.36
▸ ADORA1 P30542 2/20 0.35
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ THRB P10828 1/20 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
SCHEMBL18834799 0.83 TRPC4 (0.40) ALDH1A1HTTCYP1A2CYP3A4CYP2C9
SCHEMBL16028325 0.80 TRPC5 (0.61) ALDH1A1HTTCYP1A2CYP3A4CYP2C9
SCHEMBL16029068 0.73 TRPC5 (0.61) TRPC4TRPC5KCNH2TRPC1ADORA3
SCHEMBL16027733 0.73 TRPC5 (0.63) ALDH1A1TRPC4TRPC5KCNH2TRPC1
SCHEMBL16028103 0.72 TRPC5 (0.60) TRPC4TRPC5KCNH2TRPC1ADORA3
SCHEMBL16028200 0.72 TRPC5 (0.60) TRPC4TRPC5KCNH2TRPC1ADORA3
SCHEMBL16028272 0.72 TRPC4 (0.65) ALDH1A1HTTCYP1A2CYP3A4CYP2C9
SCHEMBL19375247 0.72 TRPC5 (0.55) TRPC4TRPC5KCNH2TRPC1NCOA1
SCHEMBL16028804 0.72 TRPC5 (0.59) ALDH1A1TRPC4TRPC5KCNH2TRPC1
SCHEMBL16028679 0.71 TRPC5 (0.73) ALDH1A1HTTCYP1A2CYP3A4CYP2C9

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 2 patents. 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
EP-2970303-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-05-10 — — EP disclosed
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