SCHEMBL15919648

SCHEMBL15919648

O=C(Nc1ccccc1-c1ccccc1)c1ccc(Br)c(S(=O)(=O)NC2CCCCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.60
MEN1 O00255 5/20 0.60
TP53 P04637 7/20 0.56
CCR8 P51685 1/20 0.53
MAPT P10636 7/20 0.52
LMNA P02545 4/20 0.52
NPSR1 Q6W5P4 4/20 0.49
ALDH1A1 P00352 4/20 0.49
HTT P42858 3/20 0.49
KDM4E B2RXH2 3/20 0.49
NPY2R P49146 2/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
GAA P10253 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PTGES O14684 1/20 0.46

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
SCHEMBL15919998 0.91 KMT2A (0.63) KMT2AMEN1TP53CCR8MAPT
SCHEMBL15919624 0.85 KMT2A (0.59) KMT2AMEN1TP53CCR8MAPT
SCHEMBL6264280 0.85 MAPT (0.67) KMT2AMEN1TP53CCR8MAPT
SCHEMBL15920271 0.79 MEN1 (0.67) KMT2AMEN1TP53CCR8MAPT
SCHEMBL6263726 0.79 MAPT (0.80) KMT2AMEN1TP53MAPTLMNA
SCHEMBL15919859 0.78 KMT2A (0.52) KMT2AMEN1TP53CCR8MAPT
SCHEMBL15919649 0.75 KDM4E (0.85) KMT2AMEN1TP53MAPTLMNA
SCHEMBL13870904 0.75 MEN1 (1.00) KMT2AMEN1TP53CCR8MAPT
SCHEMBL15919854 0.74 LMNA (0.58) KMT2AMEN1TP53MAPTLMNA
SCHEMBL13543507 0.73 HTT (0.61) KMT2AMEN1TP53MAPTLMNA

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-2014116684-A1 NON-PEPTIDIC NEUROPEPTIDE Y RECEPTOR MODULATORS ROBERTS EDWARD (US) 2014-07-31 WO disclosed