SCHEMBL9750186

SCHEMBL9750186

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ATP4A P20648 1/20 0.37
ATP4B P51164 1/20 0.37
HTR1A P08908 2/20 0.37
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
PTGER4 P35408 4/20 0.37
PTGER3 P43115 4/20 0.37
PTGER2 P43116 4/20 0.37
PTGER1 P34995 2/20 0.37
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 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
SCHEMBL9750193 0.82 MAPT (0.41) L3MBTL1MAPTMAPK1TDP1HTR1A
SCHEMBL11149823 0.80 MAPT (0.47) L3MBTL1MAPTMAPK1TDP1HTR1A
SCHEMBL11018961 0.74 POLB (0.42) PTPN1L3MBTL1MAPTMAPK1TDP1
SCHEMBL9750449 0.73 MAPT (0.40) L3MBTL1MAPTMAPK1TDP1ATP4A
SCHEMBL9750432 0.73 HRH3 (0.48) MEN1KMT2ANPC1RAB9AMAOB
SCHEMBL6859897 0.71 MPI (0.32) TDP1
SCHEMBL11019035 0.70 HRH3 (0.48) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL18716386 0.70 HTR1A (0.61) PTPN1L3MBTL1MAPTMAPK1TDP1
SCHEMBL10939899 0.70 ALDH1A1 (0.52) L3MBTL1MAPTMAPK1TDP1ALDH1A1
SCHEMBL11444474 0.70 NR1H2 (0.36) L3MBTL1ALDH1A1MEN1KMT2ALMNA

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