SCHEMBL6919643

SCHEMBL6919643

CCCCc1nn(CC)c(O)c1C(=O)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 4/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
GAA P10253 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
TRPV1 Q8NER1 1/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
NPC1 O15118 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL6919541 0.94 HTT (0.41) L3MBTL1LMNAHDAC3HDAC1HDAC2
SCHEMBL6922174 0.89 MAPT (0.43) L3MBTL1LMNAHDAC3HDAC1HDAC2
SCHEMBL6919835 0.86 L3MBTL1 (0.47) L3MBTL1LMNAHDAC3HDAC1HDAC2
SCHEMBL6922367 0.84 HTT (0.40) L3MBTL1LMNAGAACYP1A2TSHR
SCHEMBL6919131 0.84 ALDH1A1 (0.40) L3MBTL1GAAMAPTHTTNPC1
SCHEMBL6918790 0.83 LMNA (0.42) LMNAGAATSHRMAPTHTT
SCHEMBL6921278 0.82 TSHR (0.46) L3MBTL1GAATSHRMAPTHTT
SCHEMBL6919885 0.81 GAA (0.40) L3MBTL1LMNAHDAC3HDAC1HDAC2
SCHEMBL2214214 0.80 ALDH1A1 (0.43) L3MBTL1LMNAHDAC3HDAC1HDAC2
SCHEMBL6922335 0.79 MAPT (0.41) L3MBTL1GAAMAPTHTTNPC1

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
WO-2004033431-A2 HYDROXYPYRAZOLES FOR USE AGAINST METABOLIC-RELATED DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2004-04-22 WO claimed
WO-2004033431-A2 HYDROXYPYRAZOLES FOR USE AGAINST METABOLIC-RELATED DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2004-04-22 WO disclosed