SCHEMBL7656690

SCHEMBL7656690

O=C(c1ccc(C(=O)N(CCO)CCO)nc1)N(CCO)CCO

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 2/20 0.43
P4HA1 P13674 1/20 0.43
MIF P14174 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
MAPK1 P28482 2/20 0.39
MLYCD O95822 3/20 0.37
GRM5 P41594 1/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 1/20 0.36
LIMK2 P53671 1/20 0.35
CYP3A4 P08684 1/20 0.34
HCAR3 P49019 2/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL7105124 0.81 L3MBTL1 (0.41) L3MBTL1NPC1ALDH1A1RAB9APOLB
SCHEMBL8824764 0.81 MLYCD (0.48) P4HTMP4HA1MIFL3MBTL1MAPK1
SCHEMBL10460373 0.81 MLYCD (0.48) P4HTMP4HA1MIFL3MBTL1MAPK1
SCHEMBL7655050 0.80 HDAC4 (0.44) P4HTMP4HA1MIFL3MBTL1MAPK1
SCHEMBL7157289 0.79 ALDH1A1 (0.48) L3MBTL1MLYCDNPC1ALDH1A1LIMK2
SCHEMBL7658682 0.79 MLYCD (0.43) P4HTMP4HA1MIFL3MBTL1MAPK1
Hydrochloric Acid SCHEMBL3666665 0.79 P4HA1 (0.37) P4HTMP4HA1MIFMAPK1MLYCD
SCHEMBL8824838 0.79 CFTR (0.46) P4HTMNPC1RAB9A
SCHEMBL7650152 0.78 MLYCD (0.42) P4HTMP4HA1MIFL3MBTL1MAPK1
SCHEMBL8824711 0.76 SMN1; SMN2 (0.41) P4HTMP4HA1MIFL3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6399613-B1 N,N'-BIS(2-HYDROXYETHYL)PYRAZINE-2,5- OR -2,6-DICARBOXAMIDE; DIABETES AVENTIS PHARMA S.A. (FR) 2002-06-04 US claimed
WO-2020184628-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME 日産化学株式会社 2020-09-17 WO disclosed
US-6399613-B1 N,N'-BIS(2-HYDROXYETHYL)PYRAZINE-2,5- OR -2,6-DICARBOXAMIDE; DIABETES AVENTIS PHARMA S.A. (FR) 2002-06-04 US disclosed