SCHEMBL6972880

SCHEMBL6972880

COC(=O)N(Cc1cc(Br)ccc1OC)c1c(C)nn(CC(C)C)c1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PTGER1 P34995 1/20 0.42
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
MC4R P32245 1/20 0.38
LMNA P02545 2/20 0.38

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
SCHEMBL3484667 0.62 LMNA (0.54) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL3404878 0.62 ALDH1A1 (0.64) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL137400 0.61 KDM4E (0.56) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL16293655 0.61 KDM4E (0.52) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL4723016 0.61 KDM4E (0.52) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL29888844 0.60 SLC6A4 (0.56) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL3696560 0.60 SLC6A4 (0.56) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL31288205 0.60 KDM4E (0.56) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL3991296 0.60 KDM4E (0.56) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL1990376 0.60 KDM4E (0.56) POLBMEN1KMT2AALDH1A1KDM4E

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-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed