SCHEMBL24254068

SCHEMBL24254068

CCc1cc(OC(=O)N2CCN(CCC(C)(CO)CO)CC2)ccc1Br

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.43
HRH2 P25021 3/20 0.39
HRH1 P35367 3/20 0.39
LMNA P02545 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HTT P42858 3/20 0.39
TSHR P16473 2/20 0.39
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 3/20 0.37
MAPK1 P28482 1/20 0.37
HBB P68871 1/20 0.37
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL24253983 0.89 SMN1; SMN2 (0.41) SMN1; SMN2HRH2HRH1LMNAALDH1A1
SCHEMBL24253976 0.85 SMN1; SMN2 (0.48) SMN1; SMN2HRH2HRH1LMNAALDH1A1
SCHEMBL24254071 0.81 LMNA (0.44) SMN1; SMN2LMNAALDH1A1HTTMAPT
SCHEMBL24253974 0.78 SMN1; SMN2 (0.45) SMN1; SMN2LMNAALDH1A1HTTTSHR
SCHEMBL24253870 0.70 CYP2D6 (0.56) SMN1; SMN2LMNAALDH1A1HTTMAPT
SCHEMBL16887919 0.65 HRH2 (0.53) SMN1; SMN2HRH2HRH1LMNAALDH1A1
SCHEMBL26636294 0.65 HRH2 (0.54) HRH2HRH1
SCHEMBL20278845 0.63 ALDH1A1 (0.59) SMN1; SMN2LMNAALDH1A1HTTMAPT
SCHEMBL30983899 0.62 KDM4E (0.53) HRH2HRH1ALDH1A1KDM4E
SCHEMBL8747161 0.62 ALDH1A1 (0.79) SMN1; SMN2LMNAALDH1A1HTTTSHR

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-2022034587-A1 Traf2- AND Nck-INTERACTING KINASE (TNIK) INHIBITORS AND USES THEREOF TNIK THERAPEUTICS LTD (IL) 2022-02-17 WO disclosed