SCHEMBL8412134

SCHEMBL8412134

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
P2RX7 Q99572 15/20 0.39
ABCB1 P08183 1/20 0.33
EPHX2 P34913 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
RAPGEF4 Q8WZA2 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
SCHEMBL8415413 0.90 TSHR (0.35) ALDH1A1HPGDSMN1; SMN2P2RX7MAPT
SCHEMBL8411821 0.81 ALDH1A1 (0.31) ALDH1A1HPGD
SCHEMBL4261100 0.76 ALDH1A1 (0.42) ALDH1A1HPGDSMN1; SMN2P2RX7ABCB1
SCHEMBL7895445 0.74 ALDH1A1 (0.41) ALDH1A1HPGDSMN1; SMN2P2RX7LMNA
SCHEMBL7599531 0.74 ALDH1A1 (0.44) ALDH1A1HPGDSMN1; SMN2P2RX7EPHX2
SCHEMBL7597337 0.71 ALDH1A1 (0.42) ALDH1A1HPGDSMN1; SMN2P2RX7EPHX2
SCHEMBL7602216 0.70 ALDH1A1 (0.41) ALDH1A1HPGDSMN1; SMN2P2RX7
SCHEMBL7599406 0.70 ALDH1A1 (0.41) ALDH1A1HPGDSMN1; SMN2P2RX7
SCHEMBL7597275 0.70 ALDH1A1 (0.41) ALDH1A1HPGDSMN1; SMN2P2RX7
SCHEMBL8413766 0.69 IRAK4 (0.42) P2RX7LMNAKMT2A

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