SCHEMBL8073796

SCHEMBL8073796

CC(=O)[CH]c1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.50
NFKB1 P19838 1/20 0.50
KDM1A O60341 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
NAPRT Q6XQN6 1/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALOX5 P09917 1/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MDM2 Q00987 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 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
SCHEMBL3919953 0.78 JUN (0.52) JUNNFKB1KDM1AHDAC1HDAC6
SCHEMBL7968621 0.78 JUN (0.52) JUNNFKB1KDM1AHDAC1HDAC6
SCHEMBL4573115 0.77 JUN (0.69) JUNNFKB1KDM1AHDAC1HDAC6
SCHEMBL4573113 0.77 JUN (0.69) JUNNFKB1KDM1AHDAC1HDAC6
SCHEMBL27396086 0.76 ALDH1A1 (0.46) JUNNFKB1KDM1AHDAC1HDAC6
SCHEMBL1821847 0.75 GLA (0.60) HDAC1HDAC6CYP1A2MAPTHTT
SCHEMBL28187249 0.73 ALDH1A1 (0.56) KDM4EMAPTALDH1A1SMN1; SMN2MEN1
Acetic Acid SCHEMBL8516899 0.73 JUN (0.47) JUNNFKB1KDM1AHDAC1HDAC6
SCHEMBL8065789 0.71 HSD11B1 (0.50) CYP1A2CYP2C19TP53MAPTPOLB
SCHEMBL28037422 0.71 CYP1A2 (0.50) HDAC1HDAC6CYP1A2MAPTHTT

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-6048880-A THERAPY FOR CYTOKINE SENSITIVE DISEASES PFIZER PHARAMACEUTICALS INC. (JP) 2000-04-11 US disclosed