SCHEMBL11515565

SCHEMBL11515565

Cc1ccc2c(c1)C(C)(C)C(C)N2C=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 2/20 0.38
POLB P06746 3/20 0.38
KDM4A O75164 1/20 0.38
THRB P10828 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ACHE P22303 4/20 0.34
BCHE P06276 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
PKM P14618 1/20 0.33
CNR1 P21554 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
SRD5A1 P18405 4/20 0.31
CCR2 P41597 1/20 0.31

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
SCHEMBL11515580 0.83 KMT2A (0.37) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL11515180 0.80 ACHE (0.41) KMT2AMEN1MAPTPOLBKDM4A
SCHEMBL11405203 0.78 KMT2A (0.42) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL11518023 0.77 ACHE (0.39) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL12288733 0.76 KMT2A (0.55) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL11515170 0.76 MAPT (0.70) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL11516866 0.76 ALDH1A1 (0.41) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL11514825 0.75 ACHE (0.38) KMT2AMEN1MAPTALDH1A1ACHE
SCHEMBL11516772 0.75 ACHE (0.38) KMT2AMEN1MAPTALDH1A1ACHE
Iodide SCHEMBL27540750 0.75 KMT2A (0.54) KMT2AMEN1MAPTKDM4EHTT

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
US-4145537-A BENZOTHIAZOLIUM DYES BAYER AKTIENGESELLSCHAFT (DE) 1979-03-20 US disclosed