SCHEMBL28813519

SCHEMBL28813519

Clc1cc(-c2c[nH]c(CCc3ccccc3)n2)cc(Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.42
▸ TUBB4A P04350 1/20 0.39
▸ TUBB P07437 1/20 0.39
▸ TUBA3C P0DPH7 1/20 0.39
▸ TUBA1B P68363 1/20 0.39
▸ TUBA4A P68366 1/20 0.39
▸ TUBB4B P68371 1/20 0.39
▸ TUBB3 Q13509 1/20 0.39
▸ TUBB2A Q13885 1/20 0.39
▸ TUBB8 Q3ZCM7 1/20 0.39
▸ TUBA3E Q6PEY2 1/20 0.39
▸ TUBA1A Q71U36 1/20 0.39
▸ TUBA1C Q9BQE3 1/20 0.39
▸ TUBB6 Q9BUF5 1/20 0.39
▸ TUBB2B Q9BVA1 1/20 0.39
▸ TUBB1 Q9H4B7 1/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL27967698 0.89 CXCR2 (0.47) GSK3BTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL26113975 0.87 GSK3B (0.41) GSK3BRAB9ANPC1TAAR1MAPT
SCHEMBL27967690 0.87 CXCR2 (0.44) GSK3BTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12068347 0.83 GSK3B (0.49) GSK3BRAB9ANPC1PDE10ATAAR1
SCHEMBL27834601 0.83 CXCR2 (0.47) GSK3BTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL27814931 0.82 NR1H2 (0.44) GSK3BTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL27967810 0.80 TUBB4A (0.39) GSK3BTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL27834575 0.79 NR1H2 (0.44) GSK3BTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL27967776 0.79 RAB9A (0.40) GSK3BTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL27967791 0.79 CXCR2 (0.43) GSK3BTUBB4ATUBBTUBA3CTUBA1B

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
CN-102119240-B Surface treating agent for copper or copper alloy and use thereof SHIKOKU CHEM 2014-07-30 — — CN disclosed
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