SCHEMBL6753950

SCHEMBL6753950

Cc1cccc2nc(CCc3ccccc3)[nH]c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.59
NPC1 O15118 2/20 0.59
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.45
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45
TUBA1A Q71U36 1/20 0.45
TUBA1C Q9BQE3 1/20 0.45
TUBB6 Q9BUF5 1/20 0.45
TUBB2B Q9BVA1 1/20 0.45

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
SCHEMBL6542837 0.87 GAA (0.60) MAPTSMN1; SMN2GAAKMT2A
SCHEMBL1917212 0.82 ADORA3 (0.42) MAPTPDE10A
SCHEMBL28705698 0.81 HTR2A (0.44) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL4359050 0.80 GAA (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL8973667 0.79 POLB (0.45) PDE10AKMT2A
SCHEMBL6755253 0.79 PARP1 (0.54) KMT2A
SCHEMBL6953987 0.79 RAB9A (0.56) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6945368 0.79 RAB9A (0.52) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL8593798 0.78 RAB9A (0.46) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL4919557 0.78 DDAH1 (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1GAA

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-6712262-B2 BENZIMIDAZOLE AND IODINE COMPOUNDS TAMURAKAKEN CORPORATION (JP) 2004-03-30 US disclosed