SCHEMBL4557417

SCHEMBL4557417

COCCN(/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1)C(N)=S

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 5/20 0.57
NPFFR2 Q9Y5X5 5/20 0.57
TNFRSF1A P19438 3/20 0.43
SLC9A1 P19634 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL4331994 1.00 NPFFR1 (0.57) NPFFR1NPFFR2TNFRSF1ASLC9A1SMN1; SMN2
SCHEMBL4456172 0.82 NPFFR1 (0.36) NPFFR1NPFFR2SMN1; SMN2LMNAKDM4E
SCHEMBL4451545 0.81 PTPN1 (0.50) SMN1; SMN2LMNAKDM4EMAPTALDH1A1
SCHEMBL4330988 0.79 NPFFR1 (0.53) NPFFR1NPFFR2TNFRSF1ASLC9A1LMNA
SCHEMBL4331989 0.74 MAPT (0.57) NPFFR1NPFFR2SMN1; SMN2LMNAKDM4E
SCHEMBL4331998 0.74 MAPT (0.57) NPFFR1NPFFR2SMN1; SMN2LMNAKDM4E
SCHEMBL4331560 0.72 NPFFR1 (0.66) NPFFR1NPFFR2SMN1; SMN2LMNAKDM4E
SCHEMBL4331556 0.72 NPFFR1 (0.66) NPFFR1NPFFR2SMN1; SMN2LMNAKDM4E
SCHEMBL4336070 0.72 KDM4E (0.47) NPFFR1NPFFR2SLC9A1SMN1; SMN2LMNA
SCHEMBL4336074 0.72 KDM4E (0.47) NPFFR1NPFFR2SLC9A1SMN1; SMN2LMNA

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-7521062-B2 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2009-04-21 US disclosed