SCHEMBL9750191

SCHEMBL9750191

C=C1N(C)c2c(OCC)cccc2C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
RECQL P46063 2/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 5/20 0.35
DAO P14920 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GLA P06280 1/20 0.32
PABPC1 P11940 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP2A6 P11509 1/20 0.31
GRK6 P43250 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL9750259 0.83 MAPT (0.46) L3MBTL1MAPTMEN1KMT2AGAA
SCHEMBL9750256 0.83 ALDH1A1 (0.35) PDK2L3MBTL1MAPTKDM4EMEN1
SCHEMBL9750080 0.81 ALDH1A1 (0.39) L3MBTL1MAPTKDM4EMEN1KMT2A
SCHEMBL11020994 0.80 MAPT (0.45) L3MBTL1MAPTKDM4EMEN1KMT2A
SCHEMBL11019576 0.79 MAPT (0.46) L3MBTL1MAPTKDM4EMEN1KMT2A
SCHEMBL9750187 0.76 PDK2 (0.42) PDK2MAPTKDM4EMEN1KMT2A
SCHEMBL9750033 0.75 ALDH1A1 (0.38) L3MBTL1MEN1KMT2AGAALMNA
SCHEMBL4603103 0.74 MEN1 (0.37) MAPTKDM4EMEN1KMT2ARECQL
SCHEMBL10938890 0.73 GABRA1 (0.34) LMNAALDH1A1TDP1HPGD
SCHEMBL9750447 0.72 PGR (0.33) L3MBTL1MAPTRECQLLMNAALDH1A1

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 8 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
US-4419511-A Process for the preparation of trimethine dyestuffs BAYER AKTIENGESELLSCHAFT (US) 1983-12-06 US disclosed
US-4349670-A Process for the preparation of cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1982-09-14 US disclosed
EP-0058863-A1 Process for the preparation of trimethine dyestuffs BAYER AG (DE) 1982-09-01 EP disclosed
EP-0023652-A1 Process for the preparation of cationic dyestuffs BAYER AG (DE) 1981-02-11 EP disclosed
US-4201707-A Methine dyestuffs containing a phenyl azo group BAYER AKTIENGESELLSCHAFT (DE) 1980-05-06 US disclosed
US-4143228-A RED SHADES BAYER AKTIENGESELLSCHAFT (DE) 1979-03-06 US disclosed
US-4138570-A METHINE DYE BAYER AKTIENGESELLSCHAFT (DE) 1979-02-06 US disclosed