SCHEMBL9750193

SCHEMBL9750193

C=C1N(C)c2ccc(OCc3ccccc3)c(OC)c2C1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR1A P08908 4/20 0.38
ADRA1D P25100 3/20 0.38
ADRA1A P35348 3/20 0.38
ADRA1B P35368 3/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
MAOB P27338 1/20 0.37
ABCB1 P08183 2/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
CHRNA7 P36544 2/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL11149823 0.83 MAPT (0.47) MAPTALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL9750186 0.82 PTPN1 (0.40) MAPTALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL9750009 0.76 CHRNA7 (0.46) MAPTALDH1A1HSD17B10KDM4CMAPK1
SCHEMBL9750259 0.72 MAPT (0.46) MAPTALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL17912878 0.72 MAPT (0.66) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL9750449 0.72 MAPT (0.40) MAPTALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL9750432 0.71 HRH3 (0.48) KDM4CMAOBNPC1RAB9A
SCHEMBL6312645 0.69 HTR1A (0.63) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL11019035 0.68 HRH3 (0.48) KDM4CMAOBNPC1RAB9A
SCHEMBL5850231 0.67 HTR7 (0.41) MAPTALDH1A1MAPK1ADRA1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5120858-A Condensation of 2-methyleneindoline and formic acid in acetic anhydride MILES INC. (US) 1992-06-09 US disclosed
EP-0058863-B1 PROCESS FOR THE PREPARATION OF TRIMETHINE DYESTUFFS BAYER AG (DE) 1985-01-23 EP disclosed
US-4419511-A Process for the preparation of trimethine dyestuffs BAYER AKTIENGESELLSCHAFT (US) 1983-12-06 US disclosed