SCHEMBL8415413

SCHEMBL8415413

CCC[N+](C)(C)c1c(NCc2c(C)cc(C)cc2Cl)c(=O)c1=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
HPGD P15428 2/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
HTT P42858 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL8412134 0.90 ALDH1A1 (0.41) HPGDALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL8411821 0.83 ALDH1A1 (0.31) HPGDALDH1A1
SCHEMBL7894235 0.76 L3MBTL1 (0.36) TSHRHPGDPOLBALDH1A1SMN1; SMN2
SCHEMBL7894151 0.74 MAPT (0.40) TSHRHPGDPOLBALDH1A1SMN1; SMN2
SCHEMBL7895615 0.74 L3MBTL1 (0.39) TSHRHPGDPOLBALDH1A1SMN1; SMN2
SCHEMBL7896944 0.71 L3MBTL1 (0.34) TSHRHPGDPOLBALDH1A1SMN1; SMN2
SCHEMBL7894266 0.70 PLK1 (0.40) TSHRHPGDALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL7895193 0.68 L3MBTL1 (0.32) TSHRHPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL4261100 0.66 ALDH1A1 (0.42) HPGDALDH1A1SMN1; SMN2P2RX7
SCHEMBL7887027 0.65 PLK1 (0.35) P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934257-A1 SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-08-11 EP claimed
WO-1998002413-A1 SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-01-22 WO claimed
EP-0934257-A1 SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-08-11 EP disclosed
WO-1998002413-A1 SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-01-22 WO disclosed