SCHEMBL15049243

SCHEMBL15049243

Cn1nccc1N=Nc1ccc(O)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
MAPT P10636 6/20 0.41
ALDH1A1 P00352 2/20 0.41
BRD4 O60885 3/20 0.40
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
AR P10275 1/20 0.34
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
HTT P42858 4/20 0.33
L3MBTL1 Q9Y468 4/20 0.33
TDP1 Q9NUW8 3/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 2/20 0.33
AGTR1 P30556 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
AHR P35869 1/20 0.33

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
SCHEMBL16232517 1.00 PTGS1 (0.46) PTGS1PTGS2MAPTALDH1A1BRD4
SCHEMBL25925933 0.86 PTGS1 (0.41) PTGS1PTGS2MAPTALDH1A1BRD4
SCHEMBL22650274 0.84 KDR (0.40) PTGS1PTGS2MAPTALDH1A1BRD4
SCHEMBL18250390 0.84 KMT2A (0.49) MAPTALDH1A1BRD4ARMEN1
SCHEMBL22650266 0.81 MEN1 (0.40) PTGS1PTGS2MAPTALDH1A1BRD4
SCHEMBL22650232 0.79 RPS6KB2 (0.33) PTGS1PTGS2BRD4MEN1KMT2A
SCHEMBL22650271 0.78 MAPT (0.37) PTGS1PTGS2MAPTALDH1A1BRD4
SCHEMBL25925882 0.78 AHR (0.36) MAPTALDH1A1BRD4MEN1KMT2A
SCHEMBL21125070 0.77 PTGS1 (0.67) PTGS1PTGS2MAPTALDH1A1BRD4
SCHEMBL25925733 0.75 ALDH1A1 (0.36) MAPTALDH1A1

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
EP-2606873-A1 Aqueous oxidizing composition Kao Germany GmbH (DE) 2013-06-26 EP disclosed