SCHEMBL3393032

SCHEMBL3393032

Cc1c(-c2ccc(Cl)cc2)c(OC(C)C)nn1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
GAA P10253 4/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
HPGD P15428 3/20 0.41
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NPSR1 Q6W5P4 3/20 0.40
BCL2 P10415 1/20 0.39
MDM2 Q00987 1/20 0.39
MCL1 Q07820 1/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
GPR55 Q9Y2T6 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
SCHEMBL3385375 0.90 RAB9A (0.45) MAPTSMN1; SMN2HPGDNPC1RAB9A
SCHEMBL3263308 0.85 NPSR1 (0.40) MAPTLMNASMN1; SMN2HPGDNPC1
SCHEMBL3261292 0.80 ALDH1A1 (0.46) GAAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3262693 0.79 ATM (0.42) ATMMAPTLMNAHPGDNPC1
SCHEMBL3264193 0.79 MAPT (0.50) ATMGAAMAPTLMNASMN1; SMN2
SCHEMBL3260654 0.78 MAPT (0.50) ATMMAPTLMNASMN1; SMN2HPGD
SCHEMBL4191056 0.77 GAA (0.55) GAAMAPTLMNASMN1; SMN2HPGD
SCHEMBL3264381 0.77 TRPM8 (0.43) ATMGAAMAPTLMNASMN1; SMN2
SCHEMBL3264346 0.75 KDM4E (0.43) ATMMAPTLMNASMN1; SMN2HPGD
SCHEMBL3264376 0.75 CYP1A2 (0.40) ATMGAALMNASMN1; SMN2NPC1

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
EP-2151433-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 EP disclosed