SCHEMBL7320757

SCHEMBL7320757

CC(O)c1c([N+](=O)[O-])ccc(Cl)c1OCCCCCC(=O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
THRA P10827 3/20 0.41
THRB P10828 2/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 4/20 0.40
VDR P11473 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
KMT2A Q03164 2/20 0.35

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
SCHEMBL7312020 0.85 LMNA (0.46) LMNASMN1; SMN2NPSR1THRATHRB
SCHEMBL7309665 0.83 LMNA (0.43) LMNASMN1; SMN2NPSR1THRATHRB
SCHEMBL7315762 0.83 LMNA (0.44) LMNASMN1; SMN2NPSR1THRATHRB
SCHEMBL7312450 0.80 LMNA (0.44) LMNASMN1; SMN2NPSR1THRATHRB
SCHEMBL7318314 0.76 THRA (0.43) LMNASMN1; SMN2NPSR1THRATHRB
SCHEMBL7319695 0.76 ALDH1A1 (0.46) LMNASMN1; SMN2THRATHRBMAPK1
SCHEMBL7319069 0.75 ALDH1A1 (0.43) LMNASMN1; SMN2MAPK1NPC1ALDH1A1
SCHEMBL7313188 0.75 LMNA (0.52) LMNASMN1; SMN2NPSR1THRATHRB
SCHEMBL7315787 0.74 LMNA (0.46) LMNASMN1; SMN2NPSR1THRATHRB
SCHEMBL7318561 0.73 LMNA (0.45) LMNASMN1; SMN2NPSR1THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed