SCHEMBL8428466

SCHEMBL8428466

CCC1=C(Cc2nnn[nH]2)c2c3ccc(OC)c2C(c2ccc(Cl)cc2)=C13

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
ALOX12 P18054 2/20 0.32
ALOX15 P16050 1/20 0.32
CRHR1 P34998 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CNR1 P21554 1/20 0.31
CYP2C19 P33261 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
SCHEMBL8428371 0.90 MAPT (0.39) MAPTNPSR1LMNATP53POLB
SCHEMBL8428336 0.82 GCGR (0.31)
SCHEMBL8430715 0.76 IKBKB (0.32)
SCHEMBL8430781 0.74 IKBKB (0.33)
SCHEMBL8428247 0.74 KMT2A (0.36) MAPTTP53TSHRMAPK1MEN1
SCHEMBL8428611 0.74
SCHEMBL8428327 0.70 PDE4B (0.38) MAPTNPSR1KDM4EHPGD
SCHEMBL8428468 0.67 MEN1 (0.39) MAPTNPSR1LMNATP53MAPK1
SCHEMBL3470072 0.63 PDE4B (0.38) MAPTTSHRAPLNRNPC1
SCHEMBL8428338 0.63 RXRA (0.36) MEN1KMT2AL3MBTL1

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
US-5965619-A ADMINISTERING AN INDENE DERIVATIVE OF GIVEN FORMULA, SUCH AS 1-(2,4,6-TRIMETHOXYBENZYLIDENE)-5-DIMETHYLAMINO-2-METHYL-3-INDENYL ACETIC ACID, TO TREAT PRECANCEROUS LESIONS SUCH AS COLONIC ADENOMATOUS POLYPS; SIDE EFFECT REDUCTION CELL PATHWAYS INC. (US) 1999-10-12 US disclosed