SCHEMBL3387691

SCHEMBL3387691

Cc1nn(-c2ccccc2)c(OC(C)C)c1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.56
NPC1 O15118 8/20 0.56
RAB9A P51151 8/20 0.56
HIF1A Q16665 1/20 0.49
POLB P06746 2/20 0.48
HPGD P15428 1/20 0.48
MAPT P10636 7/20 0.47
TP53 P04637 3/20 0.47
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 2/20 0.45
ALDH1A1 P00352 3/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
NPSR1 Q6W5P4 3/20 0.44
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 3/20 0.43

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
SCHEMBL3264193 0.90 MAPT (0.50) SMN1; SMN2NPC1RAB9AHIF1APOLB
SCHEMBL3262218 0.80 NPSR1 (0.49) SMN1; SMN2NPC1RAB9AHIF1APOLB
SCHEMBL3265133 0.80 NPSR1 (0.45) SMN1; SMN2NPC1RAB9AHIF1APOLB
SCHEMBL3385375 0.76 RAB9A (0.45) SMN1; SMN2NPC1RAB9APOLBHPGD
SCHEMBL27861242 0.76 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9AHIF1APOLB
SCHEMBL31500060 0.75 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9AHIF1APOLB
SCHEMBL8765128 0.74 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9AHIF1APOLB
SCHEMBL14132909 0.72 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9AHIF1APOLB
SCHEMBL11577752 0.72 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9APOLBHPGD
SCHEMBL9162850 0.71 BCL2 (0.47) SMN1; SMN2NPC1RAB9APOLBHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010015657-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 WO disclosed
EP-2151433-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 EP disclosed
EP-2151433-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 EP disclosed