SCHEMBL11019682

SCHEMBL11019682

C=C1N(C)c2c(OCc3ccccc3)cc(C)cc2C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
STAT3 P40763 1/20 0.36
HTT P42858 1/20 0.36
GRM5 P41594 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
LIPE Q05469 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CHRNA7 P36544 2/20 0.34
MAPK14 Q16539 2/20 0.34

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
SCHEMBL9750446 0.91 ALDH1A1 (0.36) MAPTL3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL9750259 0.83 MAPT (0.46) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL9750254 0.80 HRH3 (0.40) TDP1L3MBTL1SMN1; SMN2GRM5HRH3
SCHEMBL9750449 0.80 MAPT (0.40) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL9750080 0.79 ALDH1A1 (0.39) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL9750009 0.77 CHRNA7 (0.46) MAPTMAPK1ALDH1A1HPGDSMN1; SMN2
SCHEMBL9750432 0.74 HRH3 (0.48) HRH3MEN1KMT2ANPC1RAB9A
SCHEMBL11020994 0.72 MAPT (0.45) MAPTTDP1L3MBTL1ALDH1A1HPGD
SCHEMBL11019035 0.72 HRH3 (0.48) HRH3MEN1KMT2ANPC1RAB9A
SCHEMBL11149823 0.71 MAPT (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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