SCHEMBL17664006

SCHEMBL17664006

N=Cc1ccc(C(N)=O)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
LMNA P02545 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 2/20 0.42
PRNP P04156 1/20 0.42
HDAC4 P56524 4/20 0.35
HDAC1 Q13547 4/20 0.35
PRSS1 P07477 2/20 0.35
TMPRSS15 P98073 2/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 2/20 0.33
PKM P14618 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NQO2 P16083 2/20 0.31
GAA P10253 1/20 0.31
PLA2G10 O15496 1/20 0.31

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
SCHEMBL13637612 0.81 ALDH1A1 (0.45) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL20830186 0.79 ALDH1A1 (0.42) ALDH1A1LMNAKDM4EHPGDHSD17B10
Methane SCHEMBL16742564 0.79 ALDH1A1 (0.44) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL7140275 0.77 ALDH1A1 (0.54) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL3742201 0.74 ALDH1A1 (0.52) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL4523133 0.73 HDAC4 (0.49) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL15651689 0.71
SCHEMBL3823636 0.69 TDP1 (0.50) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL26863630 0.69
SCHEMBL31210189 0.69

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111194310-B Process for producing 2, 5-bis (aminomethyl) tetrahydrofuran 三菱瓦斯化学株式会社 2023-10-24 CN disclosed
CN-111201221-B Process for producing 2, 5-bis (aminomethyl) tetrahydrofuran 三菱瓦斯化学株式会社 2023-10-24 CN disclosed
CN-111201221-A Method for producing 2, 5-bis (aminomethyl) tetrahydrofuran 三菱瓦斯化学株式会社 2020-05-26 CN disclosed
CN-111194310-A Method for producing 2, 5-bis (aminomethyl) tetrahydrofuran 三菱瓦斯化学株式会社 2020-05-22 CN disclosed
WO-2016053855-A1 SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS THE SCRIPPS RESEARCH INSTITUTE (US) 2016-04-07 WO disclosed