SCHEMBL3390010

SCHEMBL3390010

CCOc1nn(-c2ccccc2)cc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.49
▸ AURKA O14965 1/20 0.44
▸ BRAF P15056 1/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ GRM4 Q14833 2/20 0.43
▸ HPGD P15428 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ PTGS2 P35354 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40

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
SCHEMBL3262477 0.90 AURKA (0.45) RAB9AAURKANPC1KDM4EMAPT
SCHEMBL3260145 0.90 AURKA (0.50) RAB9AAURKAKDM4EMAPTPTGS2
SCHEMBL11837070 0.81 KDM4E (0.49) RAB9AHPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL11831635 0.81 TSHR (0.46) RAB9ABRAFMAPK14NPC1HPGD
SCHEMBL3263525 0.79 RAB9A (0.43) RAB9AAURKANPC1GRM4HPGD
SCHEMBL3259619 0.79 RAB9A (0.47) RAB9AAURKANPC1HPGDSMN1; SMN2
SCHEMBL11832214 0.79 MAPT (0.56) RAB9AHPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL3260509 0.76 L3MBTL1 (0.51) RAB9AAURKANPC1HPGDSMN1; SMN2
SCHEMBL11827709 0.74 RAB9A (0.57) RAB9AAURKANPC1SMN1; SMN2KDM4E
SCHEMBL11827683 0.74 RAB9A (0.64) RAB9AAURKANPC1SMN1; SMN2KDM4E

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-2010015656-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 — — WO disclosed
EP-2151434-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 — — EP disclosed
EP-2151434-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 — — EP disclosed
Send feedback