SCHEMBL28452848

SCHEMBL28452848

O=C(Nc1ccc(N2CCN(c3nccs3)CC2)cc1)c1cccc(OCCOCCF)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.55
TSHR P16473 2/20 0.55
KMT2A Q03164 4/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
MEN1 O00255 3/20 0.53
MAPK1 P28482 3/20 0.53
TAAR1 Q96RJ0 2/20 0.53
USP2 O75604 1/20 0.53
ESR2 Q92731 1/20 0.53
NPSR1 Q6W5P4 2/20 0.51
ALDH1A1 P00352 7/20 0.50
TDP1 Q9NUW8 4/20 0.50
LMNA P02545 3/20 0.49
HPGD P15428 3/20 0.49
HTT P42858 2/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
QSOX1 O00391 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL22495287 0.89 MAPT (0.56) MAPTTSHRKMT2ANPC1RAB9A
SCHEMBL28453259 0.84 MAPT (0.61) MAPTTSHRKMT2ANPC1RAB9A
SCHEMBL22495241 0.84 MAPT (0.60) MAPTTSHRKMT2ANPC1RAB9A
SCHEMBL22495256 0.75 MAPT (0.54) MAPTTSHRKMT2AMEN1MAPK1
SCHEMBL30172105 0.75 MAPT (0.54) MAPTTSHRKMT2AMEN1MAPK1
SCHEMBL22495260 0.74 MAPT (0.58) MAPTTSHRKMT2ANPC1RAB9A
SCHEMBL22495387 0.74 MAPT (0.58) MAPTTSHRKMT2ANPC1RAB9A
SCHEMBL31504277 0.74 KMT2A (0.54) MAPTTSHRKMT2ANPC1RAB9A
SCHEMBL22495397 0.74 KMT2A (0.54) MAPTTSHRKMT2ANPC1RAB9A
SCHEMBL2306331 0.74 MAPT (0.60) MAPTTSHRKMT2ANPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111511732-A Radiolabelled compounds 豪夫迈·罗氏有限公司 2020-08-07 CN claimed
CN-111511732-A Radiolabelled compounds 豪夫迈·罗氏有限公司 2020-08-07 CN disclosed