SCHEMBL9314099

SCHEMBL9314099

Cc1cc(NCC(C)C)nc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
ALDH1A1 P00352 2/20 0.66
HPGD P15428 1/20 0.66
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
MAPT P10636 2/20 0.55
GAA P10253 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ESR1 P03372 5/20 0.51
ACP1 P24666 1/20 0.51
TLR7 Q9NYK1 2/20 0.51
SLC2A1 P11166 1/20 0.51
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.50
RAB9A P51151 2/20 0.49
BACE1 P56817 1/20 0.47
PAX8 Q06710 1/20 0.47
ESR2 Q92731 1/20 0.47

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
SCHEMBL24249663 0.82 KDM4E (0.71) KDM4ESMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL1187744 0.78 KDM4E (0.80) KDM4ESMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL11712509 0.78 KDM4E (0.65) KDM4ESMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL31098995 0.78 KDM4E (0.65) KDM4ESMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL9849561 0.76 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL8694650 0.76 KDM4E (0.62) KDM4ESMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL14451007 0.75 NUDT1 (0.56) KDM4ESMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL12763789 0.75 TLR7 (0.66) SMN1; SMN2MEN1KMT2AL3MBTL1ACP1
SCHEMBL1577669 0.75 ALDH1A1 (0.63) KDM4ESMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL20867956 0.75 KDM4E (0.61) KDM4ESMN1; SMN2ALDH1A1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5315017-A Peroxidation and eicosanoid biosynthesis inhibition ADIR ET COMPAGNIE (FR) 1994-05-24 US disclosed
EP-0512899-A1 Benzopyran compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-11-11 EP disclosed