SCHEMBL11447152

SCHEMBL11447152

CC1CCCCC1NCc1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
HPGD P15428 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM1A O60341 2/20 0.49
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.45
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
LMNA P02545 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42
SSTR3 P32745 2/20 0.40
POLB P06746 2/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL3899502 0.88 KDM1A (0.56) L3MBTL1HPGDTDP1KDM1AMGAM
SCHEMBL3899511 0.88 KDM1A (0.56) L3MBTL1HPGDTDP1KDM1AMGAM
SCHEMBL11447144 0.85 SSTR3 (0.52) L3MBTL1HPGDKDM4EGAATSHR
SCHEMBL11447173 0.83 POLB (0.60) TDP1KDM1AKDM4EGAATSHR
SCHEMBL14418800 0.83 KDM4E (0.56) KDM1AKDM4EGAATSHRALDH1A1
SCHEMBL15489529 0.83 KDM4E (0.56) KDM1AKDM4EGAATSHRALDH1A1
SCHEMBL12203638 0.83 KDM4E (0.56) KDM1AKDM4EGAATSHRALDH1A1
SCHEMBL13259009 0.83 KDM4E (0.56) KDM1AKDM4EGAATSHRALDH1A1
SCHEMBL12460806 0.83 KDM4E (0.56) KDM1AKDM4EGAATSHRALDH1A1
SCHEMBL7139034 0.82 KDM1A (0.58) L3MBTL1HPGDTDP1KDM1AMGAM

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-4216228-A Combating fungi with N-benzyl-N-cycloalkyl-ureas BAYER AKTIENGESELLSCHAFT (DE) 1980-08-05 US disclosed