SCHEMBL9874886

SCHEMBL9874886

O=C(c1ccccc1)c1cnc2ccncc2c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
ALDH1A1 P00352 4/20 0.45
HTT P42858 3/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HPGD P15428 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
TP53 P04637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL9875062 0.88 KMT2A (0.46) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL2835973 0.83 KDM4C (0.44) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL13544937 0.78 KDM4E (0.41) KMT2AMEN1HTTMAPTKDM4E
SCHEMBL9875561 0.77 MEN1 (0.61) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL9873291 0.75 KMT2A (0.45) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL9872674 0.75 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL11007722 0.74 MCL1 (0.47) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL9874603 0.74 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL28854487 0.73 KMT2A (0.57) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL2839401 0.71 MEN1 (0.51) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2

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
US-5026711-A Prevention and treatment of cardiovascular disorders and infections states; anxiolytic and anti-allergic agents SANOFI (FR) 1991-06-25 US disclosed