SCHEMBL4626316

SCHEMBL4626316

CCCC(CCC(=O)Br)c1ccc2c(c1)NC=C(C(=O)OCC)C2

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL4627746 0.78 ACHE (0.32) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL6026672 0.71 ATM (0.41) KDM4EALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL29008018 0.71 TSHR (0.45) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL29008069 0.70 TSHR (0.44) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL10731063 0.70 RAB9A (0.40) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL28549992 0.66 L3MBTL1 (0.37) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL30585963 0.61 BRD4 (0.42) KDM4EALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL9797391 0.60 KDM4E (0.48) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL7425087 0.60 KDM4E (0.59) KDM4EALDH1A1HPGDMEN1LMNA
SCHEMBL30958562 0.58 KDM4E (0.47) KDM4EALDH1A1MEN1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732541-A4 CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2008-03-05 EP disclosed
EP-1732541-A2 CYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2006-12-20 EP disclosed
WO-2005099688-A2 CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-27 WO disclosed