SCHEMBL7930512

SCHEMBL7930512

[Li]C1=C(C(c2ccccc2)N(C)C)C=CC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CHRNA7 P36544 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
HTR2A P28223 2/20 0.32
HRH1 P35367 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
SRC P12931 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
Hydrochloric Acid SCHEMBL8832134 0.79 MEN1 (0.35) KDM4EALDH1A1CHRNA7MEN1KMT2A
Hydrochloric Acid SCHEMBL8831861 0.79 MEN1 (0.35) KDM4EALDH1A1CHRNA7MEN1KMT2A
Hydrochloric Acid SCHEMBL8831996 0.79 MEN1 (0.35) KDM4EALDH1A1CHRNA7MEN1KMT2A
Hydrochloric Acid SCHEMBL8831847 0.79 MEN1 (0.35) KDM4EALDH1A1CHRNA7MEN1KMT2A
SCHEMBL16317535 0.75 KDM4E (0.33) KDM4EALDH1A1CHRNA7MEN1KMT2A
SCHEMBL17058591 0.75 CYP3A4 (0.31) KDM4EALDH1A1CHRNA7TDP1
SCHEMBL18934202 0.75 CYP3A4 (0.31) KDM4EALDH1A1CHRNA7TDP1
SCHEMBL17058646 0.71 CHRNA7 (0.33) CHRNA7
SCHEMBL674996 0.71 CHRNA7 (0.59) KDM4EALDH1A1CHRNA7MEN1KMT2A
SCHEMBL17058604 0.70 ROCK2 (0.33) MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0859798-B1 CATALYST SYSTEM TARGOR GMBH (DE) 2001-01-31 EP disclosed