SCHEMBL6921028

SCHEMBL6921028

CCCc1nn(C)c(O)c1C(=O)c1cccnn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.38
FAAH O00519 1/20 0.38
RAB9A P51151 6/20 0.36
NPC1 O15118 5/20 0.36
CES1 P23141 1/20 0.34
LMNA P02545 6/20 0.34
SMN1; SMN2 Q16637 5/20 0.33
PDE5A O76074 1/20 0.33
MAPT P10636 3/20 0.33
ATM Q13315 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
NR1I2 O75469 1/20 0.33
AHR P35869 1/20 0.33
POLB P06746 1/20 0.33
TERT O14746 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL6919673 0.84 KMT2A (0.41) RAB9ANPC1CES1LMNASMN1; SMN2
SCHEMBL2214214 0.79 ALDH1A1 (0.43) LMNAMAPTL3MBTL1HTTALDH1A1
SCHEMBL6920029 0.78 HCAR2 (0.39) RAB9ANPC1LMNASMN1; SMN2PDE5A
SCHEMBL6920152 0.76 SMN1; SMN2 (0.39) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL10753599 0.73 RAB9A (0.44) RAB9ANPC1LMNASMN1; SMN2MAPT
SCHEMBL6919835 0.72 L3MBTL1 (0.47) RAB9ANPC1LMNASMN1; SMN2MAPT
SCHEMBL6820940 0.72 SMN1; SMN2 (0.35) RAB9ANPC1LMNASMN1; SMN2PDE5A
SCHEMBL6919753 0.71 TDP1 (0.48) MAPTKDM4EALDH1A1
SCHEMBL6918282 0.68 ALDH1A1 (0.42) RAB9ANPC1LMNASMN1; SMN2MAPT
SCHEMBL6916937 0.68 HCAR2 (0.41) RAB9ANPC1LMNASMN1; SMN2MAPT

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