SCHEMBL19375348

SCHEMBL19375348

CNc1c(NCc2ccccc2)c(=O)n(CCCO)c(=O)n1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ LMNA P02545 3/20 0.42
▸ USP2 O75604 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ CYP2C9 P11712 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL18834584 0.88 TRPC5 (0.50) TRPC5MAPT
SCHEMBL18834573 0.73 TRPC5 (0.51) TRPC5ALDH1A1MAPT
SCHEMBL19375505 0.72 PDE4A (0.33) LMNAALDH1A1GAA
SCHEMBL19375583 0.71 MAPT (0.37) TRPC5LMNAALDH1A1MEN1KMT2A
SCHEMBL20432550 0.66 TRPC5 (0.48) TRPC5
SCHEMBL17517380 0.66 TRPC5 (0.74) TRPC5SMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL18834990 0.65 ALDH1A1 (0.48) TRPC5LMNAALDH1A1MEN1KMT2A
SCHEMBL18834860 0.65 HTT (0.39) SMN1; SMN2LMNAALDH1A1L3MBTL1MEN1
SCHEMBL2269932 0.65 SMN1; SMN2 (0.52) SMN1; SMN2LMNAUSP2ALDH1A1GAA
SCHEMBL28015900 0.65 HPGD (0.52) SMN1; SMN2LMNAUSP2ALDH1A1GAA

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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