SCHEMBL1840255

SCHEMBL1840255

C=CCNC(=O)c1cccc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.56
HPGD P15428 6/20 0.56
CYP1A2 P05177 4/20 0.56
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 6/20 0.49
LMNA P02545 2/20 0.49
CHRNB2 P17787 2/20 0.49
CHRNB4 P30926 2/20 0.49
CHRNA3 P32297 2/20 0.49
CHRNA4 P43681 2/20 0.49
TP53 P04637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP3A4 P08684 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP2C9 P11712 2/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL8517092 0.88 HPGD (0.62) ALOX15HPGDCYP1A2MAPTMEN1
SCHEMBL11180219 0.80 ALDH1A1 (0.58) ALOX15HPGDCYP1A2MAPTMEN1
SCHEMBL541086 0.79 HNF4A (0.51) MAPTALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL5885064 0.77 HPGD (0.68) ALOX15HPGDCYP1A2MAPTKMT2A
SCHEMBL9778247 0.76 HPGD (0.59) ALOX15HPGDCYP1A2MAPTALDH1A1
SCHEMBL7445832 0.75 HNF4A (0.51) MEN1KMT2AALDH1A1CHRNB2CHRNB4
SCHEMBL28085560 0.75 HNF4A (0.51) HPGDMEN1KMT2AALDH1A1CHRNB2
SCHEMBL8088437 0.75 HNF4A (0.51) MEN1KMT2AALDH1A1LMNACHRNB2
SCHEMBL7978017 0.73 HPGD (0.68) ALOX15HPGDCYP1A2MAPTMEN1
SCHEMBL3459359 0.73 CA1 (0.70) ALOX15HPGDCYP1A2MAPTMEN1

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-1551412-B1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF DISEASES RELATED TO NEUROTROPHINES MINERVA PATENTS SA (LU) 2011-05-04 EP claimed