SCHEMBL28690259

SCHEMBL28690259

CC(C)(C)C(=O)N1CCN(c2ccc(C=O)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
TRIM24 O15164 1/20 0.54
TRIM33 Q9UPN9 1/20 0.54
KDM4E B2RXH2 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PDK2 Q15119 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 3/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CASP6 P55212 1/20 0.44
GFER P55789 1/20 0.44
NPC1 O15118 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
SCHEMBL23086761 0.84 TRIM24 (0.54) ALDH1A1TRIM24TRIM33KDM4ESMN1; SMN2
SCHEMBL13887688 0.82 MAPT (0.58) ALDH1A1KDM4ESMN1; SMN2PDK2MEN1
SCHEMBL12788651 0.82 AKR1C3 (0.59) ALDH1A1KDM4ESMN1; SMN2PDK2MEN1
SCHEMBL377648 0.82 GFER (0.65) ALDH1A1TRIM24TRIM33KDM4ESMN1; SMN2
SCHEMBL18701878 0.81 CA12 (0.61) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL18701796 0.81 LMNA (0.63) ALDH1A1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL188121 0.81 GFER (0.68) ALDH1A1KDM4ESMN1; SMN2PDK2MEN1
SCHEMBL209802 0.81 MAPT (0.64) ALDH1A1TRIM24TRIM33SMN1; SMN2PDK2
SCHEMBL4756395 0.80 TRIM24 (0.61) ALDH1A1TRIM24TRIM33KDM4ESMN1; SMN2
SCHEMBL8241506 0.80 MAPK1 (0.66) ALDH1A1PDK2MEN1KMT2APOLB

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
CN-109563092-B 2-phenylimidazo [4,5-B ] pyridin-7-amine derivatives useful as inhibitors of the activity of the mammalian tyrosine kinase ROR1 坎塞拉有限公司 2021-09-14 CN disclosed