SCHEMBL6920029

SCHEMBL6920029

CCCc1nn(C)c(O)c1C(=O)c1ccnnc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.39
RAB9A P51151 6/20 0.36
LMNA P02545 5/20 0.36
NPC1 O15118 5/20 0.36
NR1I2 O75469 1/20 0.34
AHR P35869 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
MAPT P10636 3/20 0.33
ATM Q13315 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PDE5A O76074 1/20 0.33
POLB P06746 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
TERT O14746 2/20 0.32
ALOX15 P16050 1/20 0.32
PIK3CD O00329 1/20 0.32
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31

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 0.84 ALDH1A1 (0.43) HCAR2LMNAMAPTL3MBTL1ALDH1A1
SCHEMBL6820940 0.81 SMN1; SMN2 (0.35) HCAR2RAB9ALMNANPC1NR1I2
SCHEMBL6919835 0.78 L3MBTL1 (0.47) RAB9ALMNANPC1SMN1; SMN2MAPT
SCHEMBL6921028 0.78 P2RX7 (0.38) RAB9ALMNANPC1NR1I2AHR
SCHEMBL6919673 0.76 KMT2A (0.41) RAB9ALMNANPC1NR1I2AHR
SCHEMBL6920152 0.76 SMN1; SMN2 (0.39) HCAR2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL6916937 0.75 HCAR2 (0.41) HCAR2RAB9ALMNANPC1SMN1; SMN2
SCHEMBL10753599 0.74 RAB9A (0.44) RAB9ALMNANPC1NR1I2AHR
SCHEMBL6918282 0.73 ALDH1A1 (0.42) HCAR2RAB9ALMNANPC1SMN1; SMN2
SCHEMBL6919541 0.70 HTT (0.41) HCAR2LMNAMAPTL3MBTL1ALDH1A1

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