SCHEMBL10367206

SCHEMBL10367206

C=CC(=O)c1ccccc1N(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
GAA P10253 2/20 0.62
TSHR P16473 2/20 0.62
ALDH1A1 P00352 2/20 0.62
TP53 P04637 2/20 0.62
PTPN1 P18031 3/20 0.47
AKT1 P31749 1/20 0.45
CNR2 P34972 2/20 0.44
KMT2A Q03164 3/20 0.40
CYP3A4 P08684 2/20 0.39
MEN1 O00255 2/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
EGFR P00533 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL8798858 0.84 MAPT (0.47) MAPTSMN1; SMN2GAATSHRALDH1A1
SCHEMBL21914346 0.82 MAPT (0.64) MAPTSMN1; SMN2GAATSHRALDH1A1
SCHEMBL27890937 0.82 MAPT (0.64) MAPTSMN1; SMN2GAATSHRALDH1A1
SCHEMBL7802783 0.82 MAPT (0.55) MAPTSMN1; SMN2GAATSHRALDH1A1
SCHEMBL7959133 0.82 ALDH1A1 (0.46) MAPTSMN1; SMN2GAATSHRALDH1A1
SCHEMBL5138313 0.81 MAPT (0.53) MAPTSMN1; SMN2GAATSHRALDH1A1
SCHEMBL1001435 0.80 TSHR (0.56) MAPTSMN1; SMN2GAATSHRALDH1A1
SCHEMBL10347642 0.79 AKT1 (0.61) MAPTSMN1; SMN2TSHRALDH1A1TP53
SCHEMBL24050331 0.78 GAA (0.53) MAPTSMN1; SMN2GAATSHRALDH1A1
SCHEMBL18281547 0.78 MAPT (0.69) MAPTSMN1; SMN2GAATSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0166697-B1 AROYL SUBSTITUTED DIHYDRO-1,4-THIAZINES CIBA-GEIGY AG (CH) 1990-05-09 EP disclosed
EP-0153890-B1 DERIVATIVES OF 3-PHENYL-2-PROPENAMINE, THEIR PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC SANTE (FR) 1989-01-04 EP disclosed
US-4755599-A 3-phenyl-2-propeneamine derivatives, their preparation and composition containing them RHONE-POULENC SANTE (FR) 1988-07-05 US disclosed
US-4686309-A ANTIDEPRESSANTS RHONE-POULENC SANTE (FR) 1987-08-11 US disclosed
EP-0153890-A2 Derivatives of 3-phenyl-2-propenamine, their preparation and medicines containing them RHONE-POULENC SANTE (FR) 1985-09-04 EP disclosed