SCHEMBL9750440

SCHEMBL9750440

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 5/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
MPI P34949 1/20 0.38
TEAD4 Q15561 1/20 0.36
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
AR P10275 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
PDE4A P27815 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
SCHEMBL8942200 0.88 GRIA2 (0.42) GRIA2HTTTDP1MPIRXRA
SCHEMBL9750257 0.88 GRIA2 (0.42) GRIA2MEN1KMT2AMAPTTDP1
SCHEMBL9750442 0.87 TDP1 (0.37) MEN1KMT2AMAPTTDP1MPI
SCHEMBL4603835 0.82 KMT2A (0.53) MEN1KMT2AMAPTHTTKDM4E
SCHEMBL9750274 0.82 MAOB (0.43) SMN1; SMN2AR
SCHEMBL9750113 0.82 GRIA2 (0.45) GRIA2MAPTKDM4ETDP1MPI
SCHEMBL3819871 0.81 MAPT (0.43) MEN1KMT2AMAPTKDM4ETDP1
SCHEMBL5850441 0.80 MAPT (0.41) MEN1KMT2AMAPTHTTKDM4E
SCHEMBL9750240 0.78 MEN1 (0.40) MEN1KMT2AMAPTHTTKDM4E
SCHEMBL6474703 0.77 HSPA9 (0.42) TDP1MPI

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 6 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-4513142-A Preparation of cationic methine dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1985-04-23 US disclosed
EP-0058863-B1 PROCESS FOR THE PREPARATION OF TRIMETHINE DYESTUFFS BAYER AG (DE) 1985-01-23 EP disclosed
US-4419511-A Process for the preparation of trimethine dyestuffs BAYER AKTIENGESELLSCHAFT (US) 1983-12-06 US 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
EP-0058863-A1 Process for the preparation of trimethine dyestuffs BAYER AG (DE) 1982-09-01 EP disclosed