SCHEMBL252398

SCHEMBL252398

CCCCc1ncccc1CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
CXCR4 P61073 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
KAT2B Q92831 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35

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
SCHEMBL5102711 0.89 L3MBTL1 (0.47) L3MBTL1ALDH1A1MEN1KMT2ANPC1
SCHEMBL6293250 0.87 L3MBTL1 (0.43) L3MBTL1ALDH1A1TDP1NPC1RAB9A
SCHEMBL19444397 0.86 L3MBTL1 (0.48) L3MBTL1ALDH1A1MEN1KMT2ATDP1
SCHEMBL23020157 0.85 L3MBTL1 (0.42) L3MBTL1ALDH1A1MEN1KMT2ATDP1
SCHEMBL13073704 0.85 GRM5 (0.43) L3MBTL1ALDH1A1MEN1KMT2ATDP1
SCHEMBL29031761 0.84 TDP1 (0.49) L3MBTL1TDP1CYP3A4CYP2D6CYP2C9
SCHEMBL28182684 0.82 TDP1 (0.47) L3MBTL1MEN1KMT2ATDP1HTT
SCHEMBL253769 0.82 L3MBTL1 (0.40) L3MBTL1ALDH1A1TDP1NPC1RAB9A
SCHEMBL461554 0.81 TDP1 (0.50) L3MBTL1TDP1KAT2BLIPG
SCHEMBL844538 0.81 L3MBTL1 (0.50) L3MBTL1ALDH1A1MEN1KMT2ANPC1

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-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP disclosed