SCHEMBL7990907

SCHEMBL7990907

O=C(Oc1nc(CCCNc2cccc(C(F)(F)F)c2)c[nH]1)C(=O)Oc1nc(CCCNc2cccc(C(F)(F)F)c2)c[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.43
KCNH2 Q12809 6/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
XBP1 P17861 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GOT1 P17174 1/20 0.41
CYP1A2 P05177 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CTSS P25774 1/20 0.41
CYP2C19 P33261 1/20 0.41
RXFP1 Q9HBX9 2/20 0.41
SYK P43405 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CTSC P53634 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
SCHEMBL7990787 0.81 MCL1 (0.48) MEN1KMT2AGAAHTT
SCHEMBL7994747 0.77 KDM4E (0.45) CTSKMEN1MAPTKMT2AGAA
Oxalic Acid SCHEMBL7990904 0.75 RXFP1 (0.43) CTSKMEN1MAPTKMT2AGAA
SCHEMBL4380977 0.73 CTSC (0.43) CTSKKCNH2MAPTGAACTSL
SCHEMBL7989029 0.72 ATM (0.39) MAPTGAANPSR1
SCHEMBL11114461 0.71 MAPT (0.51) MEN1MAPTKMT2AGAAXBP1
SCHEMBL11121506 0.69 HDAC3 (0.54) MEN1MAPTKMT2AGAAXBP1
SCHEMBL11116075 0.68 MAPT (0.50) MEN1MAPTKMT2AGAAXBP1
SCHEMBL19133510 0.68 MAPT (0.54) MEN1MAPTKMT2AGAAXBP1
SCHEMBL11115754 0.67 MAPT (0.61) MEN1MAPTKMT2AGAAXBP1

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
EP-0760811-A1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H 3? (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-03-12 EP claimed
WO-1996029315-A2 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1996-09-26 WO claimed
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US disclosed