SCHEMBL3847281

SCHEMBL3847281

OB(O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)nc1-c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
MAOB P27338 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 3/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.34
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 1/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33
PTGS2 P35354 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
MAPK13 O15264 1/20 0.33
CSNK1D P48730 1/20 0.33

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
SCHEMBL519708 0.90 KDM4E (0.33) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL3847801 0.88 KIF11 (0.40) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL3846801 0.88 KMT2A (0.40) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL3846711 0.86 KDM4E (0.37) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL3854864 0.86 KCNN4 (0.33) MAOBMEN1KMT2APTGDR2CSNK1E
SCHEMBL3854383 0.84 NOX1 (0.36) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL3848952 0.84 PTGS2 (0.38) POLBMAOBMEN1KMT2ALMNA
SCHEMBL3848108 0.84 MEN1 (0.46) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL3850398 0.84 CCR6 (0.39) ALDH1A1KDM4EMAPTKCNH2
SCHEMBL3845762 0.83 PRKDC (0.36) MEN1KMT2ATSHRMAPK13MAPK12

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