SCHEMBL9750259

SCHEMBL9750259

C=C1N(C)c2c(OCc3ccccc3)cccc2C1(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
LIPE Q05469 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BRD4 O60885 3/20 0.39
ALPG P10696 1/20 0.38
PTK2B Q14289 1/20 0.38
HTR1A P08908 5/20 0.38
DRD2 P14416 2/20 0.38
HTR6 P50406 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
LTA4H P09960 1/20 0.36
MAPK14 Q16539 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
SCHEMBL9750080 0.90 ALDH1A1 (0.39) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL11020994 0.88 MAPT (0.45) MAPTTDP1L3MBTL1ALDH1A1HPGD
SCHEMBL11019682 0.83 MAPT (0.40) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL9750191 0.83 PDK2 (0.39) MAPTTDP1L3MBTL1ALDH1A1HPGD
SCHEMBL11019576 0.82 MAPT (0.46) MAPTTDP1L3MBTL1ALDH1A1HPGD
SCHEMBL11149823 0.80 MAPT (0.47) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL9750127 0.79 BRD4 (0.34) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL9750256 0.78 ALDH1A1 (0.35) MAPTMAPK1L3MBTL1ALDH1A1HPGD
SCHEMBL11019010 0.76 HTR2A (0.33) L3MBTL1DRD2HTR6
SCHEMBL9750449 0.75 MAPT (0.40) MAPTMAPK1TDP1L3MBTL1ALDH1A1

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