SCHEMBL9735560

SCHEMBL9735560

C=C1N(C)c2ccc(C(C)=O)cc2C1(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.45
NR1H3 Q13133 2/20 0.45
MAPT P10636 5/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
MPI P34949 1/20 0.43
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NOX1 Q9Y5S8 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
RXRA P19793 2/20 0.37
PDK2 Q15119 1/20 0.35
KDM4A O75164 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL13171960 0.88 NR1H2 (0.45) NR1H2NR1H3MAPTKDM4EMEN1
SCHEMBL13171955 0.86 MPI (0.45) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL7712511 0.84 CASP3 (0.49) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL17231387 0.83 MEN1 (0.47) NR1H2NR1H3MAPTKDM4EMEN1
SCHEMBL10882529 0.82 NOX1 (0.46) NR1H2NR1H3MAPTKDM4EMEN1
SCHEMBL4603531 0.81 MAPT (0.56) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL9750298 0.80 RARA (0.50) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL17430637 0.80 MAPT (0.51) NR1H2NR1H3MAPTKDM4EMEN1
SCHEMBL11561075 0.78 HSPA9 (0.43) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL4604095 0.77 MPI (0.43) NR1H2NR1H3MAPTKDM4EMEN1

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-5130442-A Compounds for forming color in recording material based on acid developers BAYER AKTIENGESELLSCHAFT (DE) 1992-07-14 US disclosed
EP-0431425-A2 Chromogen enamine compounds, their preparation and use as colour formers BAYER AG (DE) 1991-06-12 EP 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-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