SCHEMBL9750159

SCHEMBL9750159

C=C1N(C)c2ccc(Cc3ccccc3)cc2C1(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MPI P34949 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
PDK2 Q15119 1/20 0.37
IDH1 O75874 1/20 0.37
CYP26A1 O43174 1/20 0.35
CYP26B1 Q9NR63 1/20 0.35
CALM1 P0DP23 1/20 0.35
LTA4H P09960 3/20 0.34
TACR1 P25103 1/20 0.34
TACR3 P29371 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FEN1 P39748 1/20 0.33
HNF4A P41235 1/20 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
SCHEMBL11778009 0.92 MPI (0.42) MPITDP1RXRARXRBRXRG
SCHEMBL11503557 0.88 MPI (0.38) MPITDP1RXRARXRBRXRG
SCHEMBL9750089 0.83 RXRA (0.35) RXRARXRBRXRGPDK2IDH1
SCHEMBL5833796 0.80 MPI (0.43) MPITDP1MEN1KMT2A
SCHEMBL9750432 0.78 HRH3 (0.48) PDK2MEN1KMT2A
SCHEMBL11497623 0.78 MPI (0.32) MPITDP1RXRARXRBRXRG
SCHEMBL5850668 0.77 PGR (0.41) MPITDP1MEN1KMT2A
SCHEMBL5850314 0.77 PGR (0.41) MPITDP1MEN1KMT2A
SCHEMBL11848110 0.77 HTT (0.62) TDP1MEN1KMT2A
SCHEMBL11848117 0.77 HTT (0.62) TDP1MEN1KMT2A

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 17 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-0087706-B1 CATIONIC HYDRAZONE DYES, THEIR MANUFACTURE AND THEIR USE BAYER AG (DE) 1986-07-30 EP disclosed
EP-0074569-B1 CATIONIC METHINE DYES, PROCESS FOR THEIR PREPARATION AND THEIR USE, IN DYEING TEXTILE MATERIALS AND OTHER SUBSTRATES BAYER AG (DE) 1985-06-19 EP disclosed
US-4513142-A Preparation of cationic methine dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1985-04-23 US disclosed
US-4496719-A 3H-Indol-2-yl cationic hydrazone dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1985-01-29 US disclosed
EP-0058863-B1 PROCESS FOR THE PREPARATION OF TRIMETHINE DYESTUFFS BAYER AG (DE) 1985-01-23 EP disclosed
EP-0113922-A2 Process for the manufacture of cationic methine dyes BAYER AG (DE) 1984-07-25 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
US-4419511-A Process for the preparation of trimethine dyestuffs BAYER AKTIENGESELLSCHAFT (US) 1983-12-06 US disclosed
EP-0087706-A2 Cationic hydrazone dyes, their manufacture and their use BAYER AG (DE) 1983-09-07 EP disclosed
EP-0074569-A2 Cationic methine dyes, process for their preparation and their use, in dyeing textile materials and other substrates BAYER AG (DE) 1983-03-23 EP 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