SCHEMBL9750449

SCHEMBL9750449

C=C1N(C)c2cc(OCc3ccccc3)c(C)cc2C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
STAT3 P40763 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MPI P34949 1/20 0.36
HTR1A P08908 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 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

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
SCHEMBL9750009 0.86 CHRNA7 (0.46) MAPTMAPK1ALDH1A1HPGDSMN1; SMN2
SCHEMBL11019682 0.80 MAPT (0.40) MAPTTDP1MAPK1L3MBTL1FFAR4
SCHEMBL9750432 0.80 HRH3 (0.48) HRH3MEN1KMT2ACYP3A4NPC1
SCHEMBL11019035 0.80 HRH3 (0.48) SLC6A2SLC6A3HRH3MEN1KMT2A
SCHEMBL11149823 0.76 MAPT (0.47) MAPTTDP1MAPK1L3MBTL1BRD4
SCHEMBL9750259 0.75 MAPT (0.46) MAPTTDP1MAPK1L3MBTL1BRD4
SCHEMBL9750254 0.75 HRH3 (0.40) TDP1L3MBTL1SMN1; SMN2HRH3MRGPRX4
SCHEMBL9750186 0.73 PTPN1 (0.40) MAPTTDP1MAPK1L3MBTL1ALDH1A1
SCHEMBL6092178 0.73 MPI (0.50) MAPTTDP1HTTMPIMEN1
SCHEMBL25081934 0.72 MAPT (0.64) MAPTTDP1MAPK1L3MBTL1FFAR4

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 4 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
EP-0058863-A1 Process for the preparation of trimethine dyestuffs BAYER AG (DE) 1982-09-01 EP disclosed