SCHEMBL8428247

SCHEMBL8428247

COc1ccc2c3c1C(c1ccccc1Cl)=C2C(C)=C3Cc1nnn[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
MAPT P10636 4/20 0.36
HPGD P15428 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 3/20 0.36
TSHR P16473 3/20 0.33
HSD17B10 Q99714 1/20 0.33
KCNN4 O15554 1/20 0.32
P2RX7 Q99572 2/20 0.31
APLNR P35414 2/20 0.31
NPC1 O15118 4/20 0.31
RAB9A P51151 4/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
TP53 P04637 3/20 0.31
USP2 O75604 1/20 0.31
ALOX15 P16050 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
ERN1 O75460 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 0.84 MAPT (0.39) KMT2AMAPTHPGDALDH1A1MEN1
SCHEMBL8432130 0.83 PDE4B (0.37) MAPTTSHRAPLNRNPC1SMN1; SMN2
SCHEMBL8428327 0.77 PDE4B (0.38) MAPTHPGDALDH1A1HSD17B10SMN1; SMN2
SCHEMBL8428466 0.74 MAPT (0.36) KMT2AMAPTHPGDMEN1TSHR
SCHEMBL8430715 0.71 IKBKB (0.32)
SCHEMBL8430781 0.69 IKBKB (0.33)
SCHEMBL8428611 0.69
SCHEMBL3149895 0.64 AR (0.47) MAPTALDH1A1TSHRHSD17B10L3MBTL1
SCHEMBL12892212 0.63 CA2 (0.58) KMT2AMAPTHPGDALDH1A1TSHR
SCHEMBL8428336 0.62 GCGR (0.31)

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