SCHEMBL11153293

SCHEMBL11153293

COC(=O)[C@H](C)N(C(=O)c1ccco1)c1c(C)cc(Br)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
HTT P42858 2/20 0.45
PLA2G1B P04054 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
GAA P10253 3/20 0.37
MAPT P10636 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TP53 P04637 4/20 0.36
LMNA P02545 5/20 0.36
MAPK1 P28482 3/20 0.36
ALDH1A1 P00352 2/20 0.36
SIRT5 Q9NXA8 1/20 0.36
F2R P25116 1/20 0.35
S1PR4 O95977 1/20 0.35
TSHR P16473 3/20 0.35
KDM4E B2RXH2 2/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 4/20 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
SCHEMBL11160412 0.84 KMT2A (0.48) KMT2AMEN1HTTPLA2G1BNPSR1
Furalaxyl SCHEMBL9661285 0.83 MEN1 (0.60) KMT2AMEN1HTTPLA2G1BNPSR1
Furalaxyl SCHEMBL54624 0.83 MEN1 (0.60) KMT2AMEN1HTTPLA2G1BNPSR1
Furalaxyl SCHEMBL22528 0.83 MEN1 (0.60) KMT2AMEN1HTTPLA2G1BNPSR1
SCHEMBL11156252 0.78 MEN1 (0.43) KMT2AMEN1HTTPLA2G1BNPSR1
Benalaxyl SCHEMBL727907 0.77 KMT2A (0.56) KMT2AMEN1HTTPLA2G1BNPSR1
Benalaxyl SCHEMBL4297556 0.77 KMT2A (0.56) KMT2AMEN1HTTPLA2G1BNPSR1
SCHEMBL11393387 0.74 RORC (0.41) KMT2AMEN1HTTPLA2G1BNPSR1
Furalaxyl SCHEMBL5002959 0.74 MEN1 (0.47) KMT2AMEN1HTTPLA2G1BNPSR1
SCHEMBL11158973 0.70 MEN1 (0.49) KMT2AMEN1HTTPLA2G1BNPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0029996-B1 N-SUBSTITUTED 2-METHYLNAPHTHYL AMIDES, PROCESS FOR THEIR MANUFACTURE AND FUNGICIDES CONTAINING THEM BASF Aktiengesellschaft (DE) 1983-02-16 EP disclosed
EP-0029996-A1 N-substituted 2-methylnaphthyl amides, process for their manufacture and fungicides containing them BASF Aktiengesellschaft (DE) 1981-06-10 EP disclosed