SCHEMBL16364208

SCHEMBL16364208

CC(C)C(I)c1nc2c(c(=O)n(CCCO)c(=O)n2C)n1Cc1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 5/20 0.58
▸ TRPC4 Q9UBN4 2/20 0.58
▸ KCNH2 Q12809 1/20 0.58
▸ TP53 P04637 1/20 0.55
▸ TRPC1 P48995 1/20 0.53
▸ MAPT P10636 4/20 0.49
▸ TSHR P16473 3/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ POLB P06746 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ LMNA P02545 3/20 0.47
▸ P2RX3 P56373 1/20 0.46
▸ RAB9A P51151 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 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
SCHEMBL19374895 0.90 TRPC5 (0.60) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL19375414 0.90 TRPC5 (0.62) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL16028564 0.89 TRPC5 (0.59) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL16027715 0.89 TRPC5 (0.61) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL19505523 0.87 TRPC5 (0.59) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL18834338 0.87 TRPC5 (0.56) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL19505413 0.85 TRPC5 (0.57) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL19505580 0.83 TRPC5 (0.57) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL18834595 0.82 TRPC5 (0.65) TRPC5TRPC4KCNH2TP53TRPC1
SCHEMBL18833810 0.82 TRPC5 (0.65) TRPC5TRPC4KCNH2TP53TRPC1

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
WO-2014143799-A9 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-12-24 — — WO disclosed
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