SCHEMBL7996829

SCHEMBL7996829

O=C(Cc1ccncc1)c1ccc(F)cc1.[Li]CCCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.51
LTA4H P09960 1/20 0.44
CYP3A4 P08684 1/20 0.43
MAPK14 Q16539 1/20 0.43
RAB9A P51151 3/20 0.43
NAMPT P43490 2/20 0.41
NPC1 O15118 2/20 0.41
CNR2 P34972 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
MAPT P10636 1/20 0.39
XBP1 P17861 1/20 0.39
HIF1A Q16665 1/20 0.39
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL2645324 0.85 LTA4H (0.58) HTR7LTA4HCYP3A4MAPK14RAB9A
SCHEMBL7143886 0.84 RAB9A (0.51) HTR7LTA4HCYP3A4MAPK14RAB9A
Hydrochloric Acid SCHEMBL5253545 0.84 LTA4H (0.56) HTR7LTA4HCYP3A4MAPK14RAB9A
SCHEMBL1993655 0.79 L3MBTL1 (0.58) LTA4HCYP3A4RAB9ANAMPTNPC1
SCHEMBL6280945 0.79 ALDH1A1 (0.56) RAB9ANPC1LMNASMN1; SMN2
SCHEMBL6282350 0.76 THRA (0.61) MAPT
SCHEMBL17088991 0.76 LMNA (0.65) CYP3A4NPC1L3MBTL1LMNASMN1; SMN2
SCHEMBL2512740 0.76 RAB9A (0.64) CYP3A4MAPK14RAB9ANAMPTNPC1
SCHEMBL6283043 0.75 KMT2A (0.57) RAB9ANPC1L3MBTL1LMNASMN1; SMN2
SCHEMBL6283084 0.75 RAB9A (0.56) RAB9ANAMPTNPC1L3MBTL1LMNA

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
WO-2001057018-A1 AZAAZULENE INHIBITORS OF P38 MAP KINASE AND TNF-ALPHA ABBOTT LABORATORIES (US) 2001-08-09 WO disclosed