SCHEMBL3850495

SCHEMBL3850495

CC(C)(C)C(=O)OCn1cnc2cc(Br)ccc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIK1 P57059 2/20 0.42
SIK2 Q9H0K1 2/20 0.42
SIK3 Q9Y2K2 2/20 0.42
LMNA P02545 3/20 0.40
MCL1 Q07820 1/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC8 Q9BY41 1/20 0.39
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FDPS P14324 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
NR1I2 O75469 1/20 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
SCHEMBL3848710 0.90 LMNA (0.42) SIK1SIK2SIK3LMNAMCL1
SCHEMBL21177886 0.76 LMNA (0.35) LMNAMCL1POLB
SCHEMBL29463859 0.75 NPC1 (0.44) SIK1SIK2SIK3LMNAMCL1
SCHEMBL12144994 0.75 NPC1 (0.44) SIK1SIK2SIK3LMNAMCL1
SCHEMBL19470182 0.74 CSNK2A2 (0.45) SIK1SIK2SIK3LMNAMCL1
SCHEMBL15206424 0.73 TNF (0.52) SIK1SIK2SIK3LMNANPC1
SCHEMBL861938 0.73 NPC1 (0.63) LMNANPC1RAB9AHDAC1HDAC8
SCHEMBL2144211 0.72 MTNR1A (0.45) SIK1SIK2SIK3NPC1RAB9A
SCHEMBL15271713 0.72 NPC1 (0.48) SIK1SIK2SIK3LMNAMCL1
SCHEMBL25435222 0.72 NPC1 (0.46) SIK1SIK2SIK3NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 EP disclosed