SCHEMBL3845642

SCHEMBL3845642

OCCNc1ncccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
MAPK1 P28482 1/20 0.47
RAD52 P43351 1/20 0.43
TNF P01375 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
MAPT P10636 4/20 0.39
HTT P42858 1/20 0.39
POLB P06746 2/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
FLT3 P36888 1/20 0.37
TYRO3 Q06418 1/20 0.37
MERTK Q12866 1/20 0.37

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
SCHEMBL1979184 0.79 KDM4E (0.48) KDM4EMAPK1RAD52TNFALDH1A1
SCHEMBL18356238 0.78 KDM4E (0.47) KDM4EMAPK1RAD52TNFALDH1A1
SCHEMBL2943749 0.78 KDM4E (0.47) KDM4EMAPK1TNFALDH1A1HPGD
SCHEMBL7080994 0.78 FDPS (0.54) KDM4EMAPK1TNFALDH1A1HPGD
SCHEMBL3846786 0.78 KDM4E (0.47) KDM4EMAPK1RAD52TNFALDH1A1
SCHEMBL29882733 0.78 KDM4E (0.47) KDM4EMAPK1RAD52TNFALDH1A1
SCHEMBL23030174 0.75 KDM4E (0.44) KDM4EMAPK1TNFALDH1A1HPGD
SCHEMBL318736 0.75 KDM4E (0.44) KDM4EMAPK1RAD52TNFALDH1A1
SCHEMBL15119425 0.75 EGLN2 (0.44) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL318735 0.75 KDM4E (0.44) KDM4EMAPK1RAD52TNFALDH1A1

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 5 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-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