SCHEMBL29959068

SCHEMBL29959068

CN1CCN(c2ccc(N)cc2C(F)(F)F)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
KDM4E B2RXH2 4/20 0.59
RAD52 P43351 1/20 0.59
NR1H2 P55055 1/20 0.58
TP53 P04637 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ASIC3 Q9UHC3 1/20 0.52
ALDH1A1 P00352 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 2/20 0.47
ADRA2C P18825 3/20 0.47
GAA P10253 3/20 0.47
PTK2B Q14289 2/20 0.47
GFER P55789 1/20 0.47
KMT2A Q03164 1/20 0.47
ESR2 Q92731 1/20 0.47
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
GLA P06280 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL880662 1.00 MAPT (0.59) MAPTKDM4ERAD52NR1H2TP53
SCHEMBL5563187 0.94 MAPT (0.54) MAPTKDM4ERAD52NR1H2TP53
SCHEMBL10127594 0.87 MAPT (0.55) MAPTKDM4ERAD52NR1H2TP53
SCHEMBL282776 0.86 NR1H2 (0.49) MAPTKDM4ERAD52NR1H2TP53
SCHEMBL29649928 0.86 NR1H2 (0.49) MAPTKDM4ERAD52NR1H2TP53
SCHEMBL78966 0.85 ALDH1A1 (0.56) MAPTKDM4ENR1H2TP53SMN1; SMN2
SCHEMBL16719192 0.84 MAPT (0.53) MAPTKDM4ERAD52NR1H2TP53
SCHEMBL25194643 0.83 ALDH1A1 (0.59) MAPTKDM4ENR1H2TP53SMN1; SMN2
SCHEMBL1929368 0.83 ALDH1A1 (0.59) MAPTKDM4ENR1H2TP53SMN1; SMN2
SCHEMBL30336413 0.83 ALDH1A1 (0.59) MAPTKDM4ENR1H2TP53SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431239-A Compounds, pharmaceutical compositions, kits and uses thereof 密执安大学评议会 2025-02-14 CN disclosed
CN-119060018-A N, N-diaryl urea derivative and application thereof 杭州百新生物医药科技有限公司 2024-12-03 CN disclosed
CN-113710241-B Substituted bicyclic and tetracyclic quinones and related methods of use 密执安大学评议会 2024-11-15 CN disclosed
WO-2022226182-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2022-10-27 WO disclosed