SCHEMBL9750256

SCHEMBL9750256

C=C1N(C)c2c(OC)cccc2C1(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
MAPT P10636 4/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
PDK2 Q15119 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
CA14 Q9ULX7 2/20 0.34
CA4 P22748 1/20 0.34
PRMT1 Q99873 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33

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
SCHEMBL9750033 0.85 ALDH1A1 (0.38) ALDH1A1KMT2AMAPK1MEN1HTT
SCHEMBL9750191 0.83 PDK2 (0.39) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL9750259 0.78 MAPT (0.46) ALDH1A1MAPTKMT2AMAPK1MEN1
SCHEMBL4603103 0.77 MEN1 (0.37) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL9750080 0.76 ALDH1A1 (0.39) ALDH1A1MAPTKMT2AKDM4EMAPK1
SCHEMBL9750447 0.76 PGR (0.33) ALDH1A1MAPTMAPK1SMN1; SMN2L3MBTL1
SCHEMBL10646796 0.75 ALDH1A1 (0.34) ALDH1A1MAPTKMT2AMAPK1MEN1
SCHEMBL11020994 0.75 MAPT (0.45) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL9750149 0.74 PDE7A (0.30)
SCHEMBL9750292 0.74 MPI (0.31)

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 14 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
EP-0113920-A2 Process for the manufacture of stable solutions of cationic methine dyes, and their use in spin dyeing BAYER AG (DE) 1984-07-25 EP disclosed
EP-0113921-A2 Process for the manufacture of stable solutions of cationic methine dyes BAYER AG (DE) 1984-07-25 EP 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-0023671-B1 PROCESS FOR THE PREPARATION OF CATIONIC DYESTUFFS BAYER AG (DE) 1982-02-03 EP disclosed
US-4281112-A Process for the preparation of cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1981-07-28 US disclosed
EP-0023652-A1 Process for the preparation of cationic dyestuffs BAYER AG (DE) 1981-02-11 EP disclosed
EP-0023671-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