SCHEMBL6919835

SCHEMBL6919835

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 4/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TRPV1 Q8NER1 1/20 0.42
MAPT P10636 3/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
NPC1 O15118 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 2/20 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
SCHEMBL2214214 0.94 ALDH1A1 (0.43) L3MBTL1LMNAHDAC3HDAC1HDAC2
SCHEMBL6918282 0.88 ALDH1A1 (0.42) L3MBTL1LMNAHDAC3HDAC1HDAC2
SCHEMBL6919643 0.86 L3MBTL1 (0.46) L3MBTL1LMNAHDAC3HDAC1HDAC2
SCHEMBL6820177 0.82 ALDH1A1 (0.42) LMNATSHRGAAALDH1A1NPC1
SCHEMBL6921905 0.82 LMNA (0.41) LMNACYP1A2TSHRGAAALDH1A1
SCHEMBL6920087 0.81 LMNA (0.47) LMNATSHRGAAALDH1A1NPC1
SCHEMBL6919541 0.80 HTT (0.41) L3MBTL1LMNAHDAC3HDAC1HDAC2
SCHEMBL6921251 0.79 TSHR (0.49) LMNAHDAC1CYP1A2TSHRGAA
SCHEMBL7064260 0.77 MAPK1 (0.42) L3MBTL1LMNAHDAC3HDAC1HDAC2
SCHEMBL6919885 0.75 GAA (0.40) L3MBTL1LMNAHDAC3HDAC1HDAC2

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