SCHEMBL27967698

SCHEMBL27967698

Clc1ccc(-c2c[nH]c(CCc3ccccc3)n2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 1/20 0.47
▸ GSK3B P49841 1/20 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
▸ NPY5R Q15761 1/20 0.39
▸ QPCT Q16769 1/20 0.38
▸ NPC1 O15118 2/20 0.38

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
SCHEMBL28813519 0.89 GSK3B (0.42) CXCR2GSK3BTUBB4ATUBBTUBA3C
SCHEMBL2867366 0.87 CXCR2 (0.48) CXCR2GSK3BNPY5RNPC1RAB9A
SCHEMBL31305571 0.87 CXCR2 (0.48) CXCR2GSK3BNPY5RNPC1RAB9A
SCHEMBL27814931 0.85 NR1H2 (0.44) CXCR2GSK3BTUBB4ATUBBTUBA3C
SCHEMBL27967690 0.84 CXCR2 (0.44) CXCR2GSK3BTUBB4ATUBBTUBA3C
SCHEMBL12068347 0.83 GSK3B (0.49) GSK3BQPCTNPC1RAB9APDE10A
SCHEMBL27967810 0.83 TUBB4A (0.39) CXCR2GSK3BTUBB4ATUBBTUBA3C
SCHEMBL27834601 0.83 CXCR2 (0.47) CXCR2GSK3BTUBB4ATUBBTUBA3C
SCHEMBL28812276 0.81 TUBB4A (0.46) CXCR2GSK3BTUBB4ATUBBTUBA3C
SCHEMBL27834575 0.79 NR1H2 (0.44) CXCR2GSK3BTUBB4ATUBBTUBA3C

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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