SCHEMBL8975983

SCHEMBL8975983

Cn1c2ccncc2c2cc([Sn](C)(C)C)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.43
MAOB P27338 5/20 0.43
TOP2A P11388 1/20 0.41
ACHE P22303 3/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36
ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL8976111 0.89 ADORA3 (0.43) MAOAMAOBTOP2AACHEADORA3
SCHEMBL280029 0.80 TOP2A (0.50) MAOAMAOBTOP2AACHEADORA3
SCHEMBL13100687 0.78 ACHE (0.49) MAOAMAOBTOP2AACHEADORA3
SCHEMBL8975963 0.77 MAOA (0.44) MAOAMAOBTOP2AACHEADORA3
SCHEMBL9968105 0.75 MAOA (0.43) MAOAMAOBTOP2AACHETUBB4A
SCHEMBL2628358 0.73 ADORA3 (0.49) MAOAMAOBTOP2AACHEADORA3
SCHEMBL16625725 0.73 ATM (0.48) MAOAMAOBTOP2AACHECYP2D6
SCHEMBL8975764 0.72 FEN1 (0.40) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL29548306 0.72 GPR3 (0.64) MAOAMAOBTOP2AACHECYP2D6
SCHEMBL280028 0.72 GPR3 (0.64) MAOAMAOBTOP2AACHECYP2D6

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-5532261-A TREATING STAPHYLOCOCCUS INFECTIONS MERCK & CO., INC. (US) 1996-07-02 US disclosed