SCHEMBL20120105

SCHEMBL20120105

CN(CO)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.48
USP2 O75604 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
MAPT P10636 4/20 0.42
AGTR1 P30556 1/20 0.42
MMP3 P08254 1/20 0.41
BCL2L1 Q07817 1/20 0.41
CHKA P35790 2/20 0.41
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LSS P48449 1/20 0.39
SLC6A9 P48067 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
SCHEMBL7741833 0.86 CA12 (0.47) ALDH1A1KDM4ETAAR1L3MBTL1
SCHEMBL14067916 0.82 ALDH1A1 (0.53) ALDH1A1KDM4EUSP2TAAR1MAPT
SCHEMBL10109880 0.80 TAAR1 (0.48) ALDH1A1KDM4EUSP2TAAR1MAPT
SCHEMBL17524524 0.80 TAAR1 (0.48) ALDH1A1KDM4EUSP2TAAR1MAPT
SCHEMBL28709069 0.76 ALDH1A1 (0.47) ALDH1A1KDM4EUSP2MAPTAGTR1
SCHEMBL26081358 0.75 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL763661 0.75 TAAR1 (0.46) ALDH1A1KDM4EUSP2TAAR1MAPT
SCHEMBL12249883 0.74 ALDH1A1 (0.50) ALDH1A1KDM4EUSP2TAAR1MAPT
SCHEMBL6723671 0.74 ALDH1A1 (0.50) ALDH1A1KDM4EUSP2TAAR1MAPT
SCHEMBL6723957 0.74 ALDH1A1 (0.50) ALDH1A1KDM4EUSP2TAAR1MAPT

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
EP-3315486-A1 METHOD FOR PRODUCING AROMATIC COMPOUND Tosoh Corporation (JP) 2018-05-02 EP disclosed