SCHEMBL29959115

SCHEMBL29959115

CN1CCCN(Cc2ccc(N)cc2C(F)(F)F)CC1

nearest known ligand 0.90

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.90
POLB P06746 3/20 0.67
KDM4E B2RXH2 2/20 0.67
ALDH1A1 P00352 2/20 0.67
TDP1 Q9NUW8 1/20 0.51
CHKA P35790 5/20 0.49
LMNA P02545 1/20 0.47
CA2 P00918 1/20 0.46
NCF1 P14598 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
KIT P10721 3/20 0.45
SRC P12931 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CDK1 P06493 1/20 0.43
CDK2 P24941 1/20 0.43
CDK8 P49336 1/20 0.43
ACHE P22303 1/20 0.43

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
SCHEMBL15687976 1.00 NR1H2 (0.90) NR1H2POLBKDM4EALDH1A1TDP1
SCHEMBL29493475 0.95 NR1H2 (1.00) NR1H2POLBKDM4EALDH1A1LMNA
SCHEMBL273351 0.95 NR1H2 (1.00) NR1H2POLBKDM4EALDH1A1LMNA
SCHEMBL4933173 0.90 NR1H2 (0.76) NR1H2POLBKDM4EALDH1A1TDP1
SCHEMBL24566522 0.88 NR1H2 (0.73) NR1H2POLBKDM4EALDH1A1ACHE
SCHEMBL545052 0.87 NR1H2 (0.76) NR1H2POLBKDM4EALDH1A1KMT2A
SCHEMBL3166705 0.86 NR1H2 (0.74) NR1H2POLBKDM4EALDH1A1KMT2A
SCHEMBL29998843 0.86 NR1H2 (0.74) NR1H2POLBKDM4EALDH1A1KMT2A
SCHEMBL15006475 0.85 POLB (0.69) NR1H2POLBKDM4EALDH1A1TDP1
SCHEMBL7808220 0.85 POLB (0.69) NR1H2POLBKDM4EALDH1A1TDP1

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-2022226182-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2022-10-27 WO disclosed