SCHEMBL7948477

SCHEMBL7948477

CC(=O)Nc1ccc(NC(=O)NSc2cc(Cl)c(OCC#N)c(Cl)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.40
POLB P06746 2/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 6/20 0.39
MEN1 O00255 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
TP53 P04637 1/20 0.38
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL6816804 0.79 ALDH1A1 (0.48) RORCPOLBALOX15HTTMAPT
SCHEMBL7947441 0.74 SMN1; SMN2 (0.47) POLBHTTMAPTKMT2AMEN1
SCHEMBL6816810 0.74 RORC (0.41) RORCPOLBALOX15HTTKMT2A
SCHEMBL6810838 0.69 RORC (0.61) RORCMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL7939224 0.66 EPHX2 (0.39) RORCHTTMAPTKMT2AMEN1
SCHEMBL7939052 0.66 ALDH1A1 (0.49) RORCHTTMAPTKMT2AMEN1
SCHEMBL7945326 0.66 KMT2A (0.41) POLBHTTMAPTKMT2AMEN1
SCHEMBL8794781 0.65 CNR1 (0.55) POLBHTTMAPTKMT2AMEN1
SCHEMBL6819660 0.65 MAPT (0.55) RORCPOLBHTTMAPTKMT2A
SCHEMBL2019227 0.64 LMNA (0.42) POLBALOX15HTTMAPTKMT2A

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-6262082-B1 Diaminopyridine-containing thiourea inhibitors of herpes viruses WYETH 2001-07-17 US disclosed