SCHEMBL3722112

SCHEMBL3722112

Cc1ccc(CNc2ccc3c(c2)OC[C]3)c(C)c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
ALDH1A1 P00352 6/20 0.43
GAA P10253 5/20 0.43
KDM4E B2RXH2 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
USP2 O75604 2/20 0.43
CASP1 P29466 2/20 0.43
HBB P68871 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.37
MAPK1 P28482 2/20 0.37
LMNA P02545 2/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
CASP7 P55210 1/20 0.37
TDP1 Q9NUW8 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
RAB9A P51151 2/20 0.33

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
SCHEMBL3715922 0.73 MAPT (0.40) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL3722997 0.70 FFAR1 (0.50)
SCHEMBL10291561 0.69 FFAR1 (0.43) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL1708367 0.69 ALDH1A1 (0.36) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL3796465 0.67 BMI1 (0.34) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL3794440 0.66 ALDH1A1 (0.37) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL3793928 0.66 MAPK1 (0.36) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL3718746 0.56 MAPT (0.35) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL287086 0.56 PDCD1 (0.39)
SCHEMBL21650283 0.56 ALDH1A1 (0.37) ALDH1A1CASP7HSD17B10CYP1A2

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-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed