SCHEMBL24254071

SCHEMBL24254071

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 2/20 0.42
KDM1A O60341 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
KCNH2 Q12809 1/20 0.40
POLB P06746 1/20 0.40
DPP4 P27487 1/20 0.40

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
SCHEMBL24253974 0.82 SMN1; SMN2 (0.45) LMNAALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL24254068 0.81 SMN1; SMN2 (0.43) LMNAALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL24253983 0.81 SMN1; SMN2 (0.41) LMNAALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL24253976 0.79 SMN1; SMN2 (0.48) LMNAALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL24253870 0.76 CYP2D6 (0.56) LMNAALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL13043643 0.76 CYP2C19 (0.63) LMNAALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL5204514 0.75 HTR1A (0.55) ALDH1A1EPHX2
SCHEMBL23721039 0.75 KDM1A (0.48) LMNAALDH1A1MAPTKDM1ACHRM2
SCHEMBL3856804 0.75 ALDH1A1 (0.52) LMNAALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL6581443 0.74 MAPT (0.60) LMNAALDH1A1MAPTSMN1; SMN2RAB9A

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