SCHEMBL3848710

SCHEMBL3848710

CC(C)(C)C(=O)OCn1cnc2ccc(Br)cc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
MCL1 Q07820 1/20 0.42
IDO1 P14902 2/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
FABP4 P15090 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
SIK1 P57059 2/20 0.35
SIK2 Q9H0K1 2/20 0.35
SIK3 Q9Y2K2 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
DDR1 Q08345 2/20 0.35
BRD4 O60885 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
GLP1R P43220 1/20 0.34

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
SCHEMBL3850495 0.90 SIK1 (0.42) LMNAMCL1FDPSALDH1A1POLB
SCHEMBL22152003 0.75 MTNR1A (0.47) LMNAMCL1IDO1MTNR1AMTNR1B
SCHEMBL29463870 0.75 FDPS (0.43) LMNAMCL1IDO1MTNR1AMTNR1B
SCHEMBL15205932 0.75 FDPS (0.43) LMNAMCL1IDO1MTNR1AMTNR1B
SCHEMBL15205271 0.73 TNF (0.52) LMNAMCL1MTNR1AMTNR1BALDH1A1
SCHEMBL21177886 0.73 LMNA (0.35) LMNAMCL1POLB
SCHEMBL22153093 0.73 FDPS (0.44) LMNAMCL1IDO1MTNR1AMTNR1B
SCHEMBL1940039 0.73 NPC1 (0.52) LMNAMCL1IDO1FABP4ALDH1A1
SCHEMBL9601170 0.72 TRPA1 (0.47) LMNAMCL1ALDH1A1POLBMAPT
SCHEMBL5565180 0.72 TNF (0.43) LMNAMCL1ALDH1A1POLB

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