SCHEMBL6820940

SCHEMBL6820940

CCCc1nn(C)c(O)c1C(=O)c1cncnc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.35
RAB9A P51151 6/20 0.34
LMNA P02545 5/20 0.34
NPC1 O15118 5/20 0.34
HCAR2 Q8TDS4 1/20 0.33
VNN1 O95497 2/20 0.33
TERT O14746 3/20 0.32
MAPT P10636 3/20 0.32
ATM Q13315 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PDE5A O76074 1/20 0.32
NTRK1 P04629 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
NR1I2 O75469 1/20 0.31
AHR P35869 1/20 0.31
POLB P06746 1/20 0.31
ALOX15 P16050 1/20 0.30

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) LMNAHCAR2MAPTL3MBTL1ALDH1A1
SCHEMBL6916937 0.83 HCAR2 (0.41) SMN1; SMN2RAB9ALMNANPC1HCAR2
SCHEMBL6920029 0.81 HCAR2 (0.39) SMN1; SMN2RAB9ALMNANPC1HCAR2
SCHEMBL6920152 0.79 SMN1; SMN2 (0.39) SMN1; SMN2RAB9ANPC1HCAR2MAPT
SCHEMBL6919835 0.78 L3MBTL1 (0.47) SMN1; SMN2RAB9ALMNANPC1MAPT
SCHEMBL6919673 0.73 KMT2A (0.41) SMN1; SMN2RAB9ALMNANPC1TERT
SCHEMBL10753599 0.73 RAB9A (0.44) SMN1; SMN2RAB9ALMNANPC1MAPT
SCHEMBL6918282 0.72 ALDH1A1 (0.42) SMN1; SMN2RAB9ALMNANPC1HCAR2
SCHEMBL6921028 0.72 P2RX7 (0.38) SMN1; SMN2RAB9ALMNANPC1TERT
SCHEMBL6919541 0.69 HTT (0.41) LMNAHCAR2MAPTL3MBTL1ALDH1A1

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