SCHEMBL13423753

SCHEMBL13423753

CC(C)(C)CCNc1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.50
▸ KIF11 P52732 1/20 0.45
▸ LTA4H P09960 1/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ FLT4 P35916 1/20 0.41
▸ SPR P35270 1/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HDAC1 Q13547 1/20 0.39

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
SCHEMBL13437370 0.81 RAB9A (0.53) RAB9ALTA4HNPC1L3MBTL1ALDH1A1
SCHEMBL3643530 0.79 RAB9A (0.54) RAB9ALTA4HNPC1ALDH1A1POLB
SCHEMBL22851453 0.78 RAB9A (0.53) RAB9ALTA4HNPC1L3MBTL1ALDH1A1
SCHEMBL2128107 0.77 F2 (0.41) HPGDPOLB
SCHEMBL4762870 0.77 MAPT (0.56) RAB9AL3MBTL1HPGDALDH1A1HTT
SCHEMBL4507702 0.76 LMNA (0.53) RAB9ANPC1L3MBTL1ALDH1A1POLB
SCHEMBL19176792 0.76 LMNA (0.63) L3MBTL1ALDH1A1POLBSMN1; SMN2GAA
SCHEMBL4383419 0.76 RAB9A (0.50) RAB9ALTA4HNPC1L3MBTL1HPGD
SCHEMBL15055378 0.76 RAB9A (0.50) RAB9AKIF11LTA4HNPC1L3MBTL1
SCHEMBL4572901 0.76 RAB9A (0.50) RAB9ALTA4HNPC1CDK2FLT4

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
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 — — US disclosed
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