SCHEMBL30640490

SCHEMBL30640490

COc1ccc2c(c1)CCC/C2=N/N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.52
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 3/20 0.50
RAB9A P51151 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP19A1 P11511 4/20 0.48
CYP11B2 P19099 4/20 0.48
GAA P10253 1/20 0.47
MPO P05164 1/20 0.45
ACHE P22303 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
SCHEMBL26621931 1.00 MAPT (0.52) MAPTMAPK1ALDH1A1TDP1KMT2A
SCHEMBL20205620 0.90 MAPT (0.53) MAPTALDH1A1TDP1KMT2AKDM4E
SCHEMBL17489598 0.87 MAPT (0.54) MAPTMAPK1ALDH1A1TDP1KMT2A
SCHEMBL3823602 0.84 MAPT (0.58) MAPTMAPK1ALDH1A1TDP1KMT2A
SCHEMBL1806126 0.84 MAPT (0.55) MAPTMAPK1ALDH1A1TDP1KMT2A
SCHEMBL1809661 0.84 MAPT (0.55) MAPTMAPK1ALDH1A1TDP1KMT2A
SCHEMBL31048348 0.84 MAPT (0.58) MAPTMAPK1ALDH1A1TDP1KMT2A
SCHEMBL11971460 0.84 MAPT (0.55) MAPTMAPK1ALDH1A1TDP1KMT2A
SCHEMBL31154857 0.84 MAPT (0.58) MAPTMAPK1ALDH1A1TDP1KMT2A
SCHEMBL13019970 0.84 MAPT (0.58) MAPTMAPK1ALDH1A1TDP1KMT2A

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
WO-2023214325-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND USES THEREOF AS TET2 INHIBITORS NOVARTIS AG (CH) 2023-11-09 WO disclosed