SCHEMBL18724481

SCHEMBL18724481

O=C(NN1C(=O)C2C3C=CC(C4CC34)[C@H]2C1=O)c1cccc(Br)c1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
POLB P06746 1/20 0.66
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
MAPT P10636 2/20 0.65
LMNA P02545 1/20 0.65
HTT P42858 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.64
GAA P10253 1/20 0.54
PKM P14618 2/20 0.50
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL10029225 1.00 ALDH1A1 (0.68) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL404321 1.00 ALDH1A1 (0.68) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL10029256 0.86 ALDH1A1 (0.74) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL18724092 0.86 ALDH1A1 (0.67) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL18724329 0.86 ALDH1A1 (0.74) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL10029236 0.86 ALDH1A1 (0.67) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL406052 0.86 ALDH1A1 (0.74) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL18691802 0.85 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL10029228 0.84 ALDH1A1 (0.78) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL404562 0.84 ALDH1A1 (0.78) ALDH1A1POLBMEN1KMT2AMAPT

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-1638938-B1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES SIGA TECH INC (US) 2017-04-12 EP disclosed