SCHEMBL9750166

SCHEMBL9750166

C=C1N(C)c2ccc(C(F)(F)F)cc2C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPI P34949 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSPA9 P38646 4/20 0.39
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
NOTUM Q6P988 1/20 0.36
ALDH1A1 P00352 2/20 0.36
PKM P14618 1/20 0.36
KIF11 P52732 2/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
LMNA P02545 1/20 0.32
NR1H2 P55055 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
SCHEMBL28696124 0.87 MPI (0.40) MPITDP1HSPA9OPRM1OPRL1
SCHEMBL11738860 0.85 TDP1 (0.41) MPITDP1ALDH1A1PKMKIF11
SCHEMBL4602881 0.78 MPI (0.43) MPITDP1OPRM1OPRL1NOTUM
SCHEMBL7480629 0.78 HSPA9 (0.33) HSPA9OPRM1OPRL1NOTUMALDH1A1
SCHEMBL12072635 0.78 NOTUM (0.44) HSPA9NOTUMALDH1A1KDM4EMAPT
SCHEMBL6474703 0.77 HSPA9 (0.42) MPITDP1HSPA9KIF11SLC6A4
SCHEMBL4603835 0.76 KMT2A (0.53) MPITDP1OPRM1OPRL1ALDH1A1
SCHEMBL5850907 0.75 TRPA1 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL3809912 0.75 POLB (0.43) MPITDP1NOTUMALDH1A1KDM4E
SCHEMBL4603122 0.75 MPI (0.50) MPITDP1HSPA9ALDH1A1KDM4E

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 7 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
US-4419511-A Process for the preparation of trimethine dyestuffs BAYER AKTIENGESELLSCHAFT (US) 1983-12-06 US disclosed
EP-0058863-A1 Process for the preparation of trimethine dyestuffs BAYER AG (DE) 1982-09-01 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