SCHEMBL7547794

SCHEMBL7547794

CCOCc1cccc(NC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.44
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 3/20 0.37
RAPGEF4 Q8WZA2 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
IDO1 P14902 3/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA1A P35348 1/20 0.35
NTRK1 P04629 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
KDR P35968 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
SCHEMBL649159 0.82 TSHR (0.46) TSHRIDO1SMN1; SMN2AGXT
SCHEMBL3140637 0.81 APP (0.46) APPTSHRIDO1SIRT2SIRT1
SCHEMBL11215660 0.81 TDP1 (0.42) KMT2AMEN1TSHRRAPGEF4ALDH1A1
SCHEMBL19978009 0.79 APP (0.54) APPALDH1A1HPGDSMN1; SMN2
SCHEMBL3617649 0.78 RAPGEF4 (0.55) KMT2AMEN1TSHRRAPGEF4ALDH1A1
SCHEMBL9628682 0.78 TSHR (0.48) TSHRIDO1NTRK1SMN1; SMN2AGXT
SCHEMBL18905641 0.78 TSHR (0.48) APPTSHRRAPGEF4ADRA2AADRA1A
SCHEMBL13274041 0.76 SOD1 (0.42) TSHRRAPGEF4ALDH1A1IDO1SMN1; SMN2
SCHEMBL18180057 0.76 APP (0.50) APPTSHRALDH1A1HPGDNTRK1
Hydrochloric Acid SCHEMBL2868312 0.76 RAPGEF4 (0.53) KMT2AMEN1RAPGEF4ALDH1A1HPGD

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-1214288-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE Targacept Inc. (US) 2002-06-19 EP disclosed
WO-2001017943-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. (US) 2001-03-15 WO disclosed
EP-1042274-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE R.J. REYNOLDS TOBACCO COMPANY (US) 2000-10-11 EP disclosed
WO-2000023418-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE R.J. REYNOLDS TOBACCO COMPANY (US) 2000-04-27 WO disclosed