SCHEMBL880366

SCHEMBL880366

Cc1cc2c(cc1C)C(c1ccc(Cl)cc1Cl)CC(=O)N2

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.67
ALDH1A1 P00352 2/20 0.57
POLB P06746 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
LMNA P02545 4/20 0.52
GAA P10253 2/20 0.52
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL880460 0.85 KMT2A (0.64) TP53ALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL10280290 0.83 LMNA (0.70) TP53ALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL880459 0.80 SMN1; SMN2 (0.66) TP53ALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL14942698 0.78 LMNA (0.55) TP53ALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL880458 0.77 KMT2A (0.68) TP53ALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL10280347 0.74 KMT2A (0.70) TP53ALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL880218 0.73 ALDH1A1 (0.61) TP53ALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL880359 0.72 TP53 (0.71) TP53ALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL15427001 0.72 MAPT (0.72) TP53ALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL880464 0.70 TP53 (0.76) TP53ALDH1A1POLBKMT2AMEN1

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-2433634-A2 Compounds, compositions and methods of inhibiting a-synuclein toxicity The Whitehead Institute for Biomedical Research (US) 2012-03-28 EP disclosed