SCHEMBL8947527

SCHEMBL8947527

CNCc1cccc(NC(C)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.56
ALDH1A1 P00352 3/20 0.56
HSD17B10 Q99714 2/20 0.56
CYP1A2 P05177 1/20 0.56
RAB9A P51151 2/20 0.56
POLB P06746 1/20 0.56
NR4A1 P22736 1/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TSHR P16473 1/20 0.54
AOC3 Q16853 1/20 0.51
PARP1 P09874 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
CYP17A1 P05093 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
NLRP3 Q96P20 1/20 0.49

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
SCHEMBL19222909 0.86 NPSR1 (0.56) NPSR1ALDH1A1HSD17B10CYP1A2RAB9A
SCHEMBL2569068 0.85 NOS1 (0.51) ALDH1A1AOC3PARP1MAPT
SCHEMBL13181765 0.85 NPSR1 (0.55) NPSR1ALDH1A1HSD17B10CYP1A2RAB9A
SCHEMBL13853853 0.84 PTPN1 (0.57) NPSR1ALDH1A1HSD17B10CYP1A2RAB9A
SCHEMBL17518849 0.83 MAPK1 (0.49) ALDH1A1HSD17B10RAB9AKMT2AMAPT
SCHEMBL2931524 0.83 HSD17B10 (0.57) NPSR1ALDH1A1HSD17B10CYP1A2RAB9A
SCHEMBL14384831 0.83 NPSR1 (0.64) NPSR1ALDH1A1HSD17B10CYP1A2RAB9A
SCHEMBL7873162 0.83 NOS1 (0.49) NPSR1MAPT
SCHEMBL1548607 0.82 ALDH1A1 (0.59) NPSR1ALDH1A1HSD17B10CYP1A2RAB9A
SCHEMBL7666457 0.82 ALDH1A1 (0.59) NPSR1ALDH1A1HSD17B10CYP1A2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5512663-A Disazo reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-04-30 US disclosed
EP-0622424-A1 Reactive dyes BAYER AG (DE) 1994-11-02 EP disclosed