SCHEMBL2905517

SCHEMBL2905517

COc1ccc2nc(-c3ccc(I)cc3)c(I)n2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ SLC2A1 P11166 3/20 0.45
▸ AKT1 P31749 1/20 0.45
▸ AKT2 P31751 1/20 0.45
▸ MTNR1B P49286 3/20 0.43
▸ MTNR1A P48039 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ TUBB4A P04350 1/20 0.41
▸ TUBB P07437 1/20 0.41
▸ TUBA3C P0DPH7 1/20 0.41
▸ TUBA1B P68363 1/20 0.41
▸ TUBA4A P68366 1/20 0.41
▸ TUBB4B P68371 1/20 0.41
▸ TUBB3 Q13509 1/20 0.41
▸ TUBB2A Q13885 1/20 0.41

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
SCHEMBL2820907 0.83 MTNR1B (0.43) RAB9ANPC1SLC2A1AKT1AKT2
SCHEMBL22615062 0.77 RAB9A (0.70) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL2906472 0.74 GABRA1 (0.42) RAB9ANPC1SLC2A1AKT1AKT2
SCHEMBL2899627 0.72 ALDH1A3 (0.70) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL19951014 0.69 PKM (0.38) RAB9ANPC1SLC2A1AKT1AKT2
SCHEMBL29833387 0.68 TRIM33 (0.53) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL21566092 0.67 CYP11B1 (0.47) RAB9ANPC1SLC2A1AKT1AKT2
SCHEMBL21852751 0.67 ALDH1A1 (0.67) KDM4EALDH1A1MAPTAPP
SCHEMBL2623445 0.67 ESR2 (0.58) RAB9ANPC1SMN1; SMN2APP
SCHEMBL19175444 0.67 CLK4 (0.53) RAB9ANPC1KDM4ESMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2216052-A1 USE OF NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID, AND PROCESS FOR PRODUCTION OF THE SAME Nihon Medi-Physics Co., Ltd. (JP) 2010-08-11 — — EP disclosed
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