SCHEMBL19982723

SCHEMBL19982723

N#CC(NC(=O)c1ccccc1Br)C(O)C(=O)NCC1CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
P2RX7 Q99572 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36
HTT P42858 2/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.36
MAPK10 P53779 1/20 0.35
PRKCQ Q04759 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL21183528 0.83 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1KDM4EP2RX7LMNA
SCHEMBL19982897 0.80 CTSL (0.52) SMN1; SMN2ALDH1A1CTSLCTSBCTSK
SCHEMBL19982724 0.73 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1KDM4ELMNAMAPT
SCHEMBL19974800 0.72 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1KDM4EP2RX7LMNA
SCHEMBL19974935 0.70 HPGD (0.44) SMN1; SMN2ALDH1A1KDM4EP2RX7MAPT
SCHEMBL19974926 0.69 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1KDM4EP2RX7LMNA
SCHEMBL19974961 0.69 POLB (0.45) SMN1; SMN2ALDH1A1KDM4ELMNAMAPT
SCHEMBL19975412 0.67 HPGD (0.49) SMN1; SMN2ALDH1A1KDM4EP2RX7LMNA
SCHEMBL28316787 0.67 F10 (0.41) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL5526076 0.67 CTSS (0.74) SMN1; SMN2CTSLCTSBCTSK

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
WO-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 WO disclosed