SCHEMBL7651874

SCHEMBL7651874

CCCCOC(=O)c1c(C)nc2ccccc2c1NCc1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
GLA P06280 2/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 1/20 0.44
APP P05067 2/20 0.43
TOP2A P11388 4/20 0.42
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 2/20 0.41
RAD52 P43351 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL7649849 0.87 KMT2A (0.55) SMN1; SMN2KMT2ALMNAGLAMEN1
SCHEMBL7653573 0.83 APP (0.52) SMN1; SMN2KMT2ALMNAMEN1ALDH1A1
SCHEMBL7646312 0.83 APP (0.46) SMN1; SMN2KMT2ALMNAGLAMEN1
SCHEMBL6650864 0.82 TP53 (0.51) SMN1; SMN2KMT2ALMNAMEN1ALDH1A1
SCHEMBL7646678 0.79 KMT2A (0.61) SMN1; SMN2KMT2ALMNAGLAMEN1
SCHEMBL7650263 0.76 MAPT (0.53) SMN1; SMN2KMT2ALMNAMEN1ALDH1A1
SCHEMBL7553839 0.76 APP (0.49) SMN1; SMN2KMT2ALMNAGLAAPP
SCHEMBL7651486 0.75 PRNP (0.50) SMN1; SMN2KMT2ALMNAMEN1ALDH1A1
SCHEMBL6652586 0.75 KMT2A (0.60) SMN1; SMN2KMT2AMEN1ALDH1A1APP
SCHEMBL6651230 0.74 APP (0.47) SMN1; SMN2KMT2ALMNAGLAMEN1

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
US-6339077-B1 FOR PROPHYLAXIS OR OF GALLSTONES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-01-15 US disclosed