SCHEMBL1070529

SCHEMBL1070529

O=C(Nc1ccccc1)c1ccncc1C(O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
ALDH1A1 P00352 3/20 0.47
NAMPT P43490 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
TYK2 P29597 3/20 0.46
JAK2 O60674 2/20 0.46
KDM4C Q9H3R0 1/20 0.46
CYP11B2 P19099 1/20 0.46
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.45
PRKCI P41743 1/20 0.44

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
SCHEMBL10522319 0.81 KCNMA1 (0.48) HTTALDH1A1MEN1HPGDKMT2A
SCHEMBL3059565 0.79 SMN1; SMN2 (0.51) HTTALDH1A1MEN1KMT2AKDM4C
SCHEMBL2899135 0.77 MEN1 (0.67) HTTALDH1A1NAMPTKDM4EMEN1
SCHEMBL28072916 0.76 HTT (0.67) HTTALDH1A1NAMPTKDM4EMEN1
SCHEMBL13322124 0.76 TYK2 (0.67) HTTALDH1A1NAMPTKDM4EMEN1
SCHEMBL2892111 0.76 HTT (0.56) HTTALDH1A1NAMPTKDM4EMEN1
SCHEMBL28072777 0.76 JAK2 (0.67) HTTALDH1A1NAMPTMEN1KMT2A
SCHEMBL13948995 0.75 ALDH1A1 (0.70) HTTALDH1A1NAMPTKDM4EMEN1
SCHEMBL6616374 0.74 MEN1 (0.65) HTTALDH1A1NAMPTKDM4EMEN1
SCHEMBL16703053 0.74 KDM4C (0.48) HTTKDM4EKDM4CROCK2ROCK1

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-2274979-A1 AGENT FOR IMPROVING LAWN GRASS QUALITIES Cosmo Oil Co., Ltd. (JP) 2011-01-19 EP disclosed