SCHEMBL9750442

SCHEMBL9750442

C=C1N(C)c2ccc(Oc3ccc(Cl)cc3)cc2C1(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.37
MPI P34949 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
ALDH1A1 P00352 2/20 0.33
BACE1 P56817 1/20 0.33
LMNA P02545 4/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
APEX1 P27695 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LTA4H P09960 1/20 0.33
PTGS2 P35354 1/20 0.33
ACHE P22303 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KCNK2 O95069 1/20 0.32
KCNK10 P57789 1/20 0.32

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
SCHEMBL9750257 0.87 GRIA2 (0.42) TDP1MPIKMT2AMEN1ALDH1A1
SCHEMBL9750440 0.87 GRIA2 (0.42) TDP1MPIKMT2AMEN1ALDH1A1
SCHEMBL8942200 0.87 GRIA2 (0.42) TDP1MPIMAOAMAOBBACE1
SCHEMBL3809912 0.83 POLB (0.43) TDP1MPIKMT2AMEN1ALDH1A1
SCHEMBL9750098 0.83 MAOB (0.46) KMT2AMEN1MAOAMAOBACHE
SCHEMBL9750113 0.81 GRIA2 (0.45) TDP1MPIBACE1MAPTPOLB
SCHEMBL3819871 0.80 MAPT (0.43) TDP1MPIKMT2AMEN1ALDH1A1
SCHEMBL11287132 0.78 MPI (0.38) TDP1MPIKMT2AMEN1LMNA
SCHEMBL6474703 0.75 HSPA9 (0.42) TDP1MPIBACE1
SCHEMBL9734981 0.74 PDK2 (0.39) TDP1MPIALDH1A1LMNALTA4H

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 9 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
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-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