SCHEMBL24253974

SCHEMBL24253974

CCc1cc(OC(=O)N2CCNCC2)ccc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.45
MAPT P10636 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 1/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.41
TPSAB1 Q15661 1/20 0.40
TPSD1 Q9BZJ3 1/20 0.40
TPSG1 Q9NRR2 1/20 0.40
CHRNA3 P32297 1/20 0.40
MAOB P27338 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL24254071 0.82 LMNA (0.44) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL24253870 0.78 CYP2D6 (0.56) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL24254068 0.78 SMN1; SMN2 (0.43) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL24253976 0.77 SMN1; SMN2 (0.48) SMN1; SMN2MAPTLMNAHTTKMT2A
SCHEMBL24253983 0.76 SMN1; SMN2 (0.41) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL29065576 0.75 KDM5C (0.42) SMN1; SMN2MAPTHTTKMT2AMEN1
SCHEMBL14740643 0.74 ALDH1A1 (0.56) SMN1; SMN2MAPTNPC1RAB9AL3MBTL1
SCHEMBL653157 0.74 CYP1A2 (0.67) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL28786999 0.72 LMNA (0.53) RAB9ALMNAKMT2AMEN1TSHR
SCHEMBL30595900 0.72 ADRB1 (0.55) RAB9AKMT2AMEN1TSHRGAA

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