SCHEMBL20028541

SCHEMBL20028541

CCOC(=O)c1nc(Br)c(C)n1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
ALDH1A1 P00352 4/20 0.55
GAA P10253 2/20 0.55
TP53 P04637 1/20 0.49
ALOX12 P18054 1/20 0.49
PDE4D Q08499 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GABRA2 P47869 2/20 0.47
GABRB2 P47870 2/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
RECQL P46063 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL12290084 0.76 ALOX15 (0.64) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL1078509 0.74 TP53 (0.58) MAPTALDH1A1GAATP53ALOX12
SCHEMBL20028539 0.74 ALDH1A1 (0.57) MAPTALDH1A1GAATP53ALOX12
SCHEMBL2028506 0.74 KMT2A (0.44) MAPTALDH1A1GAAKMT2AHPGD
SCHEMBL2681081 0.73 GABRA2 (0.58) MAPTALDH1A1GAATP53ALOX12
SCHEMBL4318706 0.72 KDM4E (0.54) MAPTALDH1A1GAATP53MEN1
SCHEMBL22920713 0.71 PDE4D (0.58) MAPTALDH1A1GAATP53ALOX12
SCHEMBL27769609 0.71 ALDH1A1 (0.66) MAPTALDH1A1GAATP53ALOX12
SCHEMBL20028763 0.71 GABRA2 (0.59) MAPTALDH1A1GAATP53ALOX12
SCHEMBL15005226 0.71 MAPT (1.00) MAPTALDH1A1GAATP53ALOX12

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-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 WO disclosed