SCHEMBL5268435

SCHEMBL5268435

CC1CN(c2ccccc2F)CCN1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.48
HTR2C P28335 1/20 0.45
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.43
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
KDM4E B2RXH2 5/20 0.41
TSHR P16473 2/20 0.41
POLB P06746 1/20 0.41
KHK P50053 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SCN9A Q15858 1/20 0.40
GLA P06280 1/20 0.39
HSD11B1 P28845 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL2246683 1.00 NOTUM (0.48) NOTUMHTR2CALDH1A1SMN1; SMN2LMNA
SCHEMBL2249111 1.00 NOTUM (0.48) NOTUMHTR2CALDH1A1SMN1; SMN2LMNA
SCHEMBL21281577 0.81 ADRB1 (0.61) HTR2CALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL21268746 0.81 ADRB1 (0.61) HTR2CALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL21268764 0.81 ADRB1 (0.61) HTR2CALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL23744700 0.81 HTR2C (0.59) NOTUMHTR2CALDH1A1LMNAKHK
SCHEMBL5631643 0.81 XIAP (0.45) HTR2CALDH1A1LMNAKDM4EKHK
SCHEMBL5631645 0.81 XIAP (0.45) HTR2CALDH1A1LMNAKDM4EKHK
SCHEMBL3219365 0.81 HTR2C (0.59) NOTUMHTR2CALDH1A1LMNAKHK
SCHEMBL3219375 0.81 HTR2C (0.59) NOTUMHTR2CALDH1A1LMNAKHK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771421-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2007-04-11 EP claimed
WO-2006010751-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-02-02 WO claimed
CN-102869660-A Aminothiazolones as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV 2013-01-09 CN disclosed
CN-102834392-A Aminothiazolones as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV 2012-12-19 CN disclosed
CN-102770429-A Substituted aminothiazolone indazoles as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV 2012-11-07 CN disclosed
CN-101102760-A Methods and agents for treating immunoinflammatory disorders COMBINATORX (US) 2008-01-09 CN disclosed
EP-1771421-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2007-04-11 EP disclosed
WO-2006010751-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-02-02 WO disclosed