SCHEMBL29958877

SCHEMBL29958877

CN1CCN(Cc2ccc(N)cc2OC(F)(F)F)CC1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.65
ALDH1A1 P00352 3/20 0.51
LMNA P02545 1/20 0.48
DDR1 Q08345 2/20 0.46
POLB P06746 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HTR6 P50406 2/20 0.41
ABL1 P00519 1/20 0.41
MGLL Q99685 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.39
ACHE P22303 1/20 0.38

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
SCHEMBL24191989 1.00 NR1H2 (0.65) NR1H2ALDH1A1LMNADDR1POLB
SCHEMBL4267414 0.84 CYP2C9 (0.45) NR1H2ALDH1A1KDM4EABL1ACHE
SCHEMBL24192354 0.84 ALDH1A1 (0.51) NR1H2ALDH1A1DDR1POLBKDM4E
SCHEMBL2075627 0.83 NR1H2 (0.59) NR1H2ALDH1A1LMNAPOLBKDM4E
SCHEMBL273351 0.79 NR1H2 (1.00) NR1H2ALDH1A1LMNADDR1POLB
SCHEMBL24192813 0.79 NR1H2 (0.70) NR1H2ALDH1A1LMNAPOLBKDM4E
SCHEMBL29493475 0.79 NR1H2 (1.00) NR1H2ALDH1A1LMNADDR1POLB
SCHEMBL11889095 0.78 CCR5 (0.42) NR1H2ALDH1A1DDR1POLBMGLL
SCHEMBL15542251 0.77 NR1H2 (0.67) NR1H2ALDH1A1LMNAPOLBKDM4E
SCHEMBL26644575 0.76 MAPT (0.55) NR1H2ALDH1A1LMNAPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4320127-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2024-02-14 EP disclosed
WO-2022226182-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2022-10-27 WO disclosed
WO-2022216680-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2022-10-13 WO disclosed