SCHEMBL24253983

SCHEMBL24253983

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.41
HRH2 P25021 3/20 0.37
HRH1 P35367 3/20 0.37
LMNA P02545 5/20 0.37
ALDH1A1 P00352 4/20 0.37
HTT P42858 4/20 0.37
TSHR P16473 2/20 0.37
MAPT P10636 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 4/20 0.35
MAPK1 P28482 1/20 0.35
HBB P68871 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL24254068 0.89 SMN1; SMN2 (0.43) SMN1; SMN2HRH2HRH1LMNAALDH1A1
SCHEMBL24253976 0.83 SMN1; SMN2 (0.48) SMN1; SMN2HRH2HRH1LMNAALDH1A1
SCHEMBL24254071 0.81 LMNA (0.44) SMN1; SMN2LMNAALDH1A1HTTMAPT
SCHEMBL24253974 0.76 SMN1; SMN2 (0.45) SMN1; SMN2LMNAALDH1A1HTTTSHR
SCHEMBL24254072 0.71 TNIK (0.56)
SCHEMBL24253870 0.68 CYP2D6 (0.56) SMN1; SMN2LMNAALDH1A1HTTMAPT
SCHEMBL26636294 0.65 HRH2 (0.54) HRH2HRH1
SCHEMBL16887919 0.63 HRH2 (0.53) SMN1; SMN2HRH2HRH1LMNAALDH1A1
SCHEMBL30983899 0.63 KDM4E (0.53) HRH2HRH1ALDH1A1KDM4E
SCHEMBL15265651 0.62 VEGFA (0.47) SMN1; SMN2LMNAALDH1A1KMT2AKDM4E

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