SCHEMBL24253976

SCHEMBL24253976

CCOC(=O)C(C)(CCN1CCN(C(=O)Oc2ccc(Br)c(CC)c2)CC1)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.48
HRH2 P25021 7/20 0.44
HRH1 P35367 7/20 0.44
LMNA P02545 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HTT P42858 2/20 0.44
TSHR P16473 2/20 0.44
KMT2A Q03164 4/20 0.42
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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 0.85 SMN1; SMN2 (0.43) SMN1; SMN2HRH2HRH1LMNAALDH1A1
SCHEMBL24253983 0.83 SMN1; SMN2 (0.41) SMN1; SMN2HRH2HRH1LMNAALDH1A1
SCHEMBL24254071 0.79 LMNA (0.44) SMN1; SMN2LMNAALDH1A1HTTKMT2A
SCHEMBL24253974 0.77 SMN1; SMN2 (0.45) SMN1; SMN2LMNAALDH1A1HTTTSHR
SCHEMBL24253870 0.69 CYP2D6 (0.56) SMN1; SMN2LMNAALDH1A1HTTKMT2A
SCHEMBL9961434 0.66 ALDH1A1 (0.50) SMN1; SMN2HRH2HRH1LMNAALDH1A1
SCHEMBL26636294 0.65 HRH2 (0.54) HRH2HRH1
SCHEMBL3285657 0.65 PPARA (0.41) LMNAALDH1A1TSHRKDM4E
SCHEMBL9819812 0.65 ALDH1A1 (0.52) HRH2HRH1LMNAALDH1A1TSHR
SCHEMBL16887919 0.64 HRH2 (0.53) SMN1; SMN2HRH2HRH1LMNAALDH1A1

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